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A series of 12 inorganic–organic hybrid 4f-substituted arsenotungstates de­corated with 3d-based complexes along with acetate bridging, viz. {[Cu2(H2O)(1,10-phen)2(μ-CH3COO)2]4[Ln2(H2O)2(μ-CH3COO)2(α-AsW11O39)2]}2− (LnIII = Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu), have been synthesized. These compounds were isolated using a one-pot synthetic strategy with copper, lanthanoid, trilacunary arsenotungstate and 1,10-phenanthroline as precursors. They were characterized using various analytical techniques, such as single-crystal X-ray diffraction (SC-XRD), powder XRD (PXRD), Fourier transform IR (FT–IR) spectroscopy, UV–Vis spectroscopy and thermogravimetric analysis (TGA). In all these compounds, a dinuclear Ln2(ac)2 moiety is sandwiched between two monolacunary [AsW11O39]7− polyoxometalates (POMs), where the Ln2(ac)2 moiety is comprised of two acetate ligands in a μ-κO,O′:κO fashion. Moreover, the anion is decorated by a copper–phenanthroline–acetate complex through a terminal O atom of the polyanion.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229618014171/jr3013sup1.cif
Contains datablocks global, fhsp17b, fhsp21c, fhsp22a, fhsp23d, fhsp24d, fhsp25c

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp17bsup2.hkl
Contains datablock fhsp17b

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp21csup3.hkl
Contains datablock fhsp21c

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp22asup4.hkl
Contains datablock fhsp22a

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp23dsup5.hkl
Contains datablock fhsp23d

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp24dsup6.hkl
Contains datablock fhsp24d

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014171/jr3013fhsp25csup7.hkl
Contains datablock fhsp25c

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229618014171/jr3013sup8.pdf
Spectra and energy curves

CCDC references: 1840909; 1840908; 1840907; 1840906; 1872077; 1840904

Computing details top

For all structures, data collection: CrysAlis PRO (Agilent, 2013); cell refinement: CrysAlis PRO (Agilent, 2013); data reduction: CrysAlis PRO (Agilent, 2013). Program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a) for fhsp17b; SHELXS (Sheldrick, 2008) for fhsp24d; SIR2004 (Burla et al., 2005) for fhsp25c. Program(s) used to refine structure: SHELXL (Sheldrick, 2015b) for fhsp17b; SHELXL2017 (Sheldrick, 2015) for fhsp21c, fhsp22a, fhsp23d, fhsp24d, fhsp25c. For all structures, molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

(fhsp17b) top
Crystal data top
C116H90.67As2Cu8Eu2K2N16O110W22·7.5(O)F(000) = 15715
Mr = 8673.69Dx = 2.860 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.5449 (13) ÅCell parameters from 11692 reflections
b = 14.2507 (5) Åθ = 3.2–28.2°
c = 48.6187 (17) ŵ = 14.43 mm1
β = 107.836 (4)°T = 293 K
V = 20145.9 (14) Å3Block, blue
Z = 40.09 × 0.07 × 0.01 mm
Data collection top
Agilent Xcalibur Sapphire3
diffractometer
18907 independent reflections
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source12701 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.109
Detector resolution: 15.9853 pixels mm-1θmax = 25.7°, θmin = 2.8°
ω scansh = 2937
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
k = 1717
Tmin = 0.079, Tmax = 1.000l = 5959
83314 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.064H-atom parameters constrained
wR(F2) = 0.174 w = 1/[σ2(Fo2) + (0.0554P)2 + 694.6223P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.001
18907 reflectionsΔρmax = 2.78 e Å3
995 parametersΔρmin = 1.56 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.2125 (7)0.1049 (15)0.3911 (5)0.043 (6)
H10.2343230.0954460.3816010.052*
C20.2264 (10)0.119 (2)0.4206 (6)0.069 (8)*
H20.2576130.1206810.4307820.083*
C30.1951 (9)0.129 (2)0.4347 (5)0.070 (9)
H30.2051410.1387460.4546160.084*
C40.1494 (8)0.1257 (16)0.4208 (5)0.045 (6)
C50.1125 (10)0.1405 (18)0.4327 (6)0.062 (8)
H50.1198900.1512020.4524700.074*
C60.0684 (8)0.1399 (18)0.4173 (6)0.055 (7)
H60.0456590.1460810.4263080.066*
C70.0565 (7)0.1298 (14)0.3869 (5)0.040 (6)
C80.0110 (8)0.1338 (19)0.3683 (6)0.059 (7)
H80.0129140.1454830.3758670.071*
C90.0017 (8)0.1211 (16)0.3397 (6)0.060 (8)
H90.0283940.1252710.3274890.072*
C100.0394 (9)0.1008 (16)0.3281 (6)0.057 (7)
H100.0332650.0888200.3084820.068*
C110.0892 (7)0.1145 (17)0.3733 (5)0.047 (6)
C120.1363 (6)0.1135 (13)0.3918 (4)0.025 (4)*
C130.1658 (8)0.3367 (16)0.3754 (5)0.046 (6)
H130.1939830.3246120.3725200.055*
C140.1667 (10)0.362 (2)0.4017 (6)0.075 (9)
H140.1946020.3667800.4163900.090*
C150.1255 (12)0.3813 (17)0.4074 (7)0.071 (9)
H150.1250640.3962280.4259030.085*
C160.0845 (10)0.377 (2)0.3840 (6)0.063 (8)
C170.0385 (14)0.395 (2)0.3863 (8)0.095 (12)
H170.0360310.4125970.4042660.113*
C180.0010 (12)0.389 (3)0.3648 (8)0.096 (12)
H180.0276110.3997580.3671330.116*
C190.0051 (10)0.3646 (19)0.3383 (9)0.078 (10)
C200.0342 (12)0.356 (3)0.3148 (9)0.117 (16)
H200.0631960.3697550.3163960.141*
C210.0287 (10)0.329 (2)0.2898 (10)0.102 (14)
H210.0542540.3250800.2734330.122*
C220.0159 (8)0.304 (2)0.2874 (6)0.071 (9)
H220.0181470.2814830.2699390.085*
C230.0483 (8)0.3394 (16)0.3350 (6)0.050 (7)
C240.0888 (9)0.3474 (15)0.3584 (6)0.053 (7)
C250.3997 (7)0.6976 (14)0.3724 (4)0.031 (5)
H250.3771030.7050220.3814480.038*
C260.3864 (7)0.7052 (16)0.3418 (4)0.040 (6)
H260.3564730.7214430.3312160.048*
C270.4194 (8)0.6878 (17)0.3282 (5)0.050 (6)
H270.4124080.6884660.3081910.060*
C280.4634 (8)0.6691 (19)0.3462 (4)0.051 (7)
C290.5007 (9)0.653 (2)0.3333 (5)0.074 (9)
H290.4950930.6515250.3133790.089*
C300.5448 (11)0.639 (2)0.3524 (6)0.074 (9)
H300.5687640.6305340.3446170.089*
C310.5556 (8)0.6379 (17)0.3832 (6)0.053 (7)
C320.5992 (8)0.6215 (19)0.4016 (5)0.057 (7)
H320.6235930.6096620.3944360.068*
C330.6056 (8)0.6231 (19)0.4308 (6)0.064 (8)
H330.6349320.6177260.4439150.077*
C340.5667 (7)0.6331 (19)0.4406 (5)0.058 (7)
H340.5709650.6290980.4603130.070*
C350.5187 (7)0.6463 (16)0.3944 (4)0.037 (5)
C360.4729 (7)0.6670 (14)0.3752 (4)0.031 (5)
C370.5840 (7)0.8617 (17)0.4749 (5)0.049 (6)
H370.5784540.8603100.4926550.059*
C380.6305 (8)0.8531 (16)0.4738 (5)0.048 (6)
H380.6545290.8426190.4906560.058*
C390.6387 (8)0.860 (2)0.4486 (6)0.068 (9)
H390.6689180.8619310.4481970.082*
C400.6013 (8)0.8654 (16)0.4219 (5)0.048 (6)
C410.6059 (8)0.8694 (19)0.3944 (5)0.058 (7)
H410.6350320.8659880.3922730.069*
C420.5700 (10)0.8779 (18)0.3715 (5)0.059 (7)
H420.5734630.8753170.3531790.070*
C430.5242 (10)0.8916 (14)0.3747 (5)0.050 (6)
C440.4849 (10)0.9050 (18)0.3514 (5)0.062 (8)
H440.4871060.9051850.3327920.074*
C450.4431 (9)0.9178 (18)0.3554 (6)0.058 (7)
H450.4167700.9264550.3397900.069*
C460.4410 (8)0.9176 (18)0.3841 (6)0.057 (7)
H460.4133340.9307050.3876460.068*
C470.5209 (8)0.8869 (16)0.4019 (4)0.040 (6)
C480.5586 (8)0.8764 (15)0.4264 (4)0.041 (6)
C490.0955 (10)0.125 (2)0.2740 (6)0.070 (8)
C500.0798 (16)0.087 (3)0.2440 (8)0.16 (2)
H50A0.0493020.0622860.2399510.234*
H50B0.0796750.1367560.2305220.234*
H50C0.1003390.0384840.2420660.234*
C510.2098 (7)0.1935 (15)0.3226 (4)0.037 (5)
C520.2579 (6)0.2076 (13)0.3208 (4)0.029 (5)
H52A0.2817970.2073580.3393480.035*
H52B0.2657970.1669540.3070170.035*
C530.3935 (7)0.7887 (17)0.4365 (4)0.041 (6)
C540.3427 (7)0.8017 (16)0.4336 (5)0.047 (6)
H54A0.3242850.7749720.4156740.070*
H54B0.3360240.8674550.4339200.070*
H54C0.3359040.7709510.4493750.070*0.3336
C550.4977 (6)0.7223 (15)0.4919 (4)0.033 (5)
C560.5078 (9)0.6911 (18)0.5211 (5)0.057 (7)
H56A0.5403060.6808850.5291460.085*
H56B0.4917280.6335590.5215900.085*
H56C0.4981860.7379560.5322350.085*
C570.2568 (7)0.0861 (13)0.2587 (4)0.033 (5)
C580.2480 (8)0.0170 (17)0.2806 (5)0.052 (6)*
H58A0.2156600.0036710.2754990.078*
H58B0.2581990.0440950.2995620.078*
H58C0.2645370.0401310.2803890.078*
As10.29577 (6)0.29836 (12)0.37464 (3)0.0139 (4)
Cu10.13921 (9)0.08465 (19)0.33397 (6)0.0385 (6)
Cu20.11937 (9)0.2862 (2)0.31282 (6)0.0430 (7)
Cu30.46600 (8)0.66677 (18)0.43171 (5)0.0330 (6)
Cu40.48330 (9)0.87012 (18)0.44770 (6)0.0367 (6)
Eu10.23033 (3)0.29253 (7)0.28554 (2)0.0253 (2)
K10.22056 (19)0.5687 (4)0.29438 (11)0.0190 (12)0.6664
K20.3488 (4)0.5658 (8)0.4602 (3)0.022 (3)0.3336
N10.1690 (6)0.1051 (12)0.3764 (4)0.039 (4)
N20.0813 (5)0.0993 (15)0.3450 (4)0.048 (5)
N30.1281 (6)0.3269 (14)0.3525 (4)0.049 (5)
N40.0530 (6)0.3125 (13)0.3092 (5)0.052 (6)
N50.4411 (5)0.6811 (11)0.3883 (3)0.033 (4)
N60.5254 (5)0.6477 (12)0.4234 (3)0.033 (4)
N70.5496 (5)0.8715 (12)0.4512 (3)0.035 (4)
N80.4785 (6)0.8985 (13)0.4061 (4)0.042 (5)
O10.4448 (4)0.5088 (9)0.4237 (3)0.033 (3)*
O20.4630 (4)0.1563 (10)0.4232 (3)0.036 (3)*
O30.3876 (4)0.3093 (10)0.4869 (3)0.036 (3)*
O40.4157 (4)0.3261 (9)0.4013 (3)0.030 (3)*
O50.3825 (4)0.2225 (9)0.4342 (3)0.027 (3)*
O60.3724 (4)0.4012 (9)0.4343 (3)0.027 (3)*
O70.3935 (4)0.4761 (9)0.3667 (3)0.026 (3)*
O80.3515 (4)0.5521 (9)0.4016 (3)0.030 (3)*
O90.3012 (4)0.3842 (9)0.4554 (3)0.032 (3)*
O100.3140 (4)0.1972 (9)0.4547 (3)0.026 (3)*
O110.3779 (4)0.0728 (9)0.4000 (3)0.030 (3)*
O120.4104 (4)0.1820 (8)0.3664 (2)0.022 (3)*
O130.2124 (4)0.4595 (10)0.4419 (3)0.036 (3)*
O140.2309 (4)0.2741 (9)0.4342 (3)0.027 (3)*
O150.2368 (4)0.0778 (9)0.4415 (3)0.033 (3)*
O160.2978 (4)0.0899 (9)0.4079 (3)0.027 (3)*
O170.3129 (5)0.0656 (10)0.3751 (3)0.041 (4)*
O180.3397 (4)0.0716 (9)0.3429 (3)0.032 (3)*
O190.3822 (4)0.1587 (10)0.3049 (3)0.038 (3)*
O200.3673 (4)0.3263 (9)0.3332 (3)0.027 (3)*
O210.3610 (4)0.5022 (9)0.3055 (3)0.035 (3)*
O220.3101 (4)0.5515 (9)0.3437 (3)0.027 (3)*
O230.2725 (4)0.6612 (9)0.3785 (3)0.035 (3)*
O240.2736 (4)0.4931 (9)0.4089 (3)0.028 (3)*
O250.3318 (4)0.2140 (8)0.3718 (3)0.025 (3)*
O260.2902 (4)0.2927 (8)0.4080 (2)0.021 (3)*
O270.3216 (4)0.4001 (8)0.3726 (2)0.020 (3)*
O280.2456 (4)0.2879 (8)0.3490 (3)0.024 (3)*
O290.2037 (4)0.3829 (9)0.3880 (3)0.027 (3)*
O300.2167 (4)0.1644 (9)0.3872 (3)0.028 (3)*
O310.2551 (4)0.0894 (9)0.3526 (3)0.032 (3)*
O320.2978 (4)0.2146 (9)0.3089 (3)0.030 (3)*
O330.2851 (4)0.4033 (9)0.3094 (3)0.030 (3)*
O340.2331 (4)0.4886 (9)0.3533 (3)0.028 (3)*
O350.1362 (4)0.4591 (9)0.3397 (3)0.027 (3)*
O360.1569 (4)0.0693 (9)0.3398 (3)0.028 (3)*
O370.1617 (4)0.2665 (8)0.3442 (3)0.024 (3)*
O380.1963 (4)0.1766 (8)0.3070 (2)0.024 (3)*
O390.1864 (4)0.3862 (9)0.3074 (3)0.028 (3)*
O400.2366 (4)0.1616 (9)0.2540 (3)0.026 (3)*
O410.2867 (4)0.0660 (9)0.2465 (3)0.031 (3)*
O420.1524 (5)0.2743 (11)0.2517 (3)0.052 (4)*
O430.1958 (5)0.1145 (11)0.3253 (3)0.048 (4)*
O440.1852 (5)0.2694 (11)0.3184 (3)0.048 (4)*
O450.1056 (5)0.0686 (12)0.2939 (3)0.051 (4)*
O460.1022 (6)0.2137 (14)0.2771 (4)0.071 (5)*
O470.1224 (5)0.4204 (12)0.2904 (4)0.060 (5)*
O480.4931 (5)0.8045 (11)0.4847 (3)0.042 (4)*
O490.4948 (5)0.6565 (10)0.4725 (3)0.042 (4)*
O500.4170 (5)0.8597 (10)0.4387 (3)0.038 (3)*
O510.4086 (5)0.7060 (10)0.4373 (3)0.037 (3)*
O520.4837 (6)1.0087 (12)0.4675 (4)0.066 (5)*
O530.3073 (14)0.492 (3)0.5044 (9)0.089 (13)*0.5
O540.2500000.236 (5)0.5000000.10 (2)*0.5
O550.2500000.019 (2)0.5000000.094 (9)*
O560.0435 (10)0.104 (2)0.2907 (7)0.166 (12)*
O570.3316 (8)0.7903 (18)0.2540 (6)0.118 (8)*
O580.3745 (10)0.951 (2)0.2843 (7)0.164 (12)*
O590.3776 (6)0.0267 (13)0.4619 (4)0.069 (5)*
O600.2937 (7)0.6423 (16)0.2754 (5)0.099 (7)*
O610.4369 (11)0.512 (2)0.4934 (7)0.062 (9)*0.5
W10.39564 (3)0.45092 (6)0.40415 (2)0.02495 (19)
W20.40896 (3)0.19175 (6)0.40397 (2)0.02400 (18)
W30.35069 (3)0.30329 (6)0.45261 (2)0.02581 (19)
W40.24296 (3)0.39665 (6)0.42407 (2)0.02463 (19)
W50.25797 (3)0.16039 (6)0.42352 (2)0.02455 (19)
W60.31528 (3)0.05367 (6)0.37443 (2)0.02456 (18)
W70.35590 (3)0.19237 (6)0.32997 (2)0.02419 (19)
W80.34025 (3)0.44673 (6)0.33029 (2)0.02453 (19)
W90.28828 (3)0.54609 (6)0.37677 (2)0.02444 (18)
W100.18479 (2)0.39378 (5)0.34380 (2)0.02241 (18)
W110.19731 (3)0.15703 (5)0.34336 (2)0.02307 (18)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.030 (13)0.043 (14)0.058 (15)0.008 (10)0.016 (11)0.012 (12)
C30.051 (17)0.13 (3)0.024 (12)0.010 (17)0.008 (12)0.003 (15)
C40.049 (15)0.039 (14)0.048 (14)0.016 (11)0.019 (12)0.005 (11)
C50.08 (2)0.063 (18)0.067 (18)0.009 (15)0.061 (17)0.018 (14)
C60.037 (15)0.068 (18)0.073 (19)0.017 (13)0.038 (14)0.001 (14)
C70.035 (13)0.028 (12)0.075 (17)0.008 (9)0.042 (13)0.007 (11)
C80.022 (13)0.08 (2)0.08 (2)0.005 (12)0.013 (13)0.013 (16)
C90.042 (15)0.032 (14)0.09 (2)0.022 (11)0.009 (14)0.015 (14)
C100.058 (17)0.033 (14)0.077 (19)0.016 (12)0.016 (15)0.003 (13)
C110.033 (13)0.059 (17)0.050 (15)0.009 (11)0.017 (11)0.020 (12)
C130.049 (15)0.045 (15)0.053 (15)0.018 (11)0.028 (13)0.018 (12)
C140.08 (2)0.09 (2)0.051 (18)0.009 (17)0.002 (16)0.018 (16)
C150.12 (3)0.030 (15)0.08 (2)0.009 (15)0.05 (2)0.016 (14)
C160.060 (19)0.07 (2)0.069 (19)0.008 (15)0.035 (17)0.006 (16)
C170.14 (3)0.06 (2)0.11 (3)0.01 (2)0.08 (3)0.03 (2)
C180.07 (2)0.14 (4)0.09 (3)0.01 (2)0.05 (2)0.02 (3)
C190.06 (2)0.034 (16)0.14 (3)0.002 (14)0.04 (2)0.015 (18)
C200.05 (2)0.19 (5)0.12 (3)0.02 (2)0.03 (2)0.04 (3)
C210.04 (2)0.05 (2)0.17 (4)0.005 (15)0.02 (2)0.04 (2)
C220.025 (14)0.10 (2)0.063 (18)0.007 (14)0.017 (12)0.028 (17)
C230.041 (15)0.038 (14)0.09 (2)0.014 (11)0.050 (15)0.023 (13)
C240.057 (17)0.018 (12)0.09 (2)0.017 (11)0.028 (16)0.010 (12)
C250.033 (12)0.029 (12)0.033 (11)0.004 (9)0.012 (10)0.000 (9)
C260.026 (12)0.065 (16)0.020 (10)0.024 (11)0.008 (9)0.001 (10)
C270.044 (15)0.066 (18)0.044 (14)0.001 (12)0.020 (12)0.006 (12)
C280.039 (14)0.09 (2)0.023 (11)0.011 (13)0.007 (10)0.020 (12)
C290.053 (17)0.13 (3)0.031 (14)0.003 (17)0.000 (13)0.003 (16)
C300.09 (2)0.09 (2)0.060 (19)0.001 (18)0.049 (18)0.021 (17)
C310.037 (14)0.050 (16)0.078 (19)0.015 (11)0.027 (14)0.025 (14)
C320.030 (13)0.09 (2)0.051 (16)0.008 (13)0.013 (12)0.012 (14)
C330.037 (15)0.08 (2)0.066 (18)0.021 (13)0.001 (13)0.010 (15)
C340.026 (13)0.09 (2)0.048 (15)0.005 (13)0.002 (11)0.009 (14)
C350.034 (12)0.058 (15)0.016 (10)0.001 (10)0.007 (9)0.004 (10)
C360.028 (11)0.038 (13)0.024 (10)0.001 (9)0.005 (9)0.001 (9)
C370.039 (14)0.065 (18)0.037 (13)0.006 (12)0.003 (11)0.019 (12)
C380.035 (14)0.049 (15)0.061 (16)0.006 (11)0.014 (12)0.005 (13)
C390.022 (13)0.12 (3)0.076 (19)0.011 (14)0.032 (13)0.041 (18)
C400.047 (15)0.045 (15)0.053 (15)0.003 (11)0.019 (12)0.025 (12)
C410.045 (15)0.09 (2)0.060 (17)0.002 (14)0.045 (14)0.011 (15)
C420.08 (2)0.068 (19)0.026 (13)0.008 (15)0.019 (13)0.010 (12)
C430.09 (2)0.010 (11)0.048 (15)0.013 (12)0.026 (15)0.009 (10)
C440.09 (2)0.064 (19)0.038 (14)0.030 (16)0.023 (15)0.008 (13)
C450.054 (17)0.055 (17)0.053 (17)0.004 (13)0.000 (13)0.019 (13)
C460.032 (14)0.052 (17)0.08 (2)0.008 (12)0.015 (14)0.012 (15)
C470.054 (15)0.052 (15)0.028 (11)0.002 (11)0.035 (11)0.004 (10)
C480.060 (16)0.040 (14)0.022 (11)0.006 (11)0.009 (11)0.002 (10)
C490.09 (2)0.08 (2)0.052 (17)0.014 (17)0.045 (17)0.006 (16)
C500.28 (6)0.08 (3)0.08 (3)0.05 (3)0.02 (3)0.02 (2)
C510.048 (14)0.033 (12)0.037 (12)0.007 (10)0.022 (11)0.022 (10)
C520.029 (11)0.034 (12)0.024 (10)0.001 (9)0.010 (9)0.009 (9)
C530.034 (13)0.062 (17)0.030 (12)0.002 (11)0.015 (10)0.007 (11)
C540.025 (12)0.047 (15)0.061 (16)0.006 (10)0.003 (11)0.001 (12)
C550.019 (11)0.046 (14)0.040 (12)0.007 (9)0.019 (9)0.006 (10)
C560.070 (18)0.074 (19)0.031 (13)0.021 (14)0.021 (13)0.008 (12)
C570.050 (13)0.017 (10)0.036 (11)0.016 (9)0.018 (10)0.013 (9)
As10.0167 (9)0.0147 (9)0.0102 (8)0.0009 (7)0.0042 (7)0.0010 (7)
Cu10.0394 (16)0.0404 (16)0.0384 (15)0.0018 (12)0.0157 (13)0.0024 (12)
Cu20.0353 (15)0.0445 (18)0.0515 (17)0.0022 (13)0.0168 (13)0.0061 (14)
Cu30.0329 (14)0.0396 (16)0.0259 (13)0.0019 (11)0.0080 (11)0.0044 (11)
Cu40.0348 (15)0.0373 (16)0.0385 (15)0.0028 (12)0.0121 (12)0.0031 (12)
Eu10.0279 (5)0.0287 (6)0.0200 (5)0.0006 (4)0.0081 (4)0.0004 (4)
K10.020 (3)0.024 (3)0.018 (3)0.008 (2)0.014 (2)0.011 (2)
K20.031 (7)0.015 (6)0.032 (7)0.011 (5)0.026 (6)0.015 (5)
N10.036 (11)0.033 (11)0.046 (11)0.002 (8)0.008 (9)0.007 (9)
N20.015 (9)0.083 (16)0.040 (11)0.010 (9)0.004 (8)0.010 (10)
N30.019 (10)0.059 (14)0.072 (14)0.004 (9)0.019 (10)0.003 (11)
N40.035 (11)0.036 (12)0.094 (17)0.008 (9)0.035 (12)0.035 (11)
N50.027 (10)0.033 (10)0.035 (10)0.009 (8)0.004 (8)0.015 (8)
N60.020 (9)0.049 (11)0.027 (9)0.002 (8)0.003 (7)0.007 (8)
N70.032 (10)0.049 (12)0.023 (9)0.010 (8)0.006 (8)0.001 (8)
N80.027 (10)0.043 (12)0.053 (12)0.009 (8)0.008 (9)0.015 (9)
W10.0241 (4)0.0295 (4)0.0204 (4)0.0042 (3)0.0055 (3)0.0028 (3)
W20.0216 (4)0.0297 (4)0.0201 (4)0.0023 (3)0.0055 (3)0.0003 (3)
W30.0284 (4)0.0323 (5)0.0167 (4)0.0007 (3)0.0069 (3)0.0008 (3)
W40.0271 (4)0.0298 (5)0.0187 (4)0.0026 (3)0.0095 (3)0.0019 (3)
W50.0268 (4)0.0295 (5)0.0189 (4)0.0000 (3)0.0092 (3)0.0030 (3)
W60.0246 (4)0.0259 (4)0.0230 (4)0.0017 (3)0.0070 (3)0.0008 (3)
W70.0232 (4)0.0322 (5)0.0172 (4)0.0019 (3)0.0063 (3)0.0025 (3)
W80.0257 (4)0.0289 (4)0.0191 (4)0.0040 (3)0.0071 (3)0.0002 (3)
W90.0253 (4)0.0254 (4)0.0221 (4)0.0012 (3)0.0065 (3)0.0018 (3)
W100.0224 (4)0.0261 (4)0.0196 (4)0.0011 (3)0.0078 (3)0.0004 (3)
W110.0238 (4)0.0259 (4)0.0203 (4)0.0029 (3)0.0079 (3)0.0005 (3)
Geometric parameters (Å, º) top
C1—C21.38 (3)Cu4—N82.022 (18)
C1—N11.30 (2)Cu4—O481.966 (15)
C2—C31.35 (3)Cu4—O501.941 (14)
C3—C41.35 (3)Cu4—O522.195 (18)
C4—C51.43 (3)Eu1—O282.977 (12)
C4—C121.35 (3)Eu1—O322.312 (13)
C5—C61.33 (3)Eu1—O332.334 (13)
C6—C71.42 (3)Eu1—O382.360 (11)
C7—C81.41 (3)Eu1—O392.362 (12)
C7—C111.37 (3)Eu1—O402.458 (12)
C8—C91.34 (3)Eu1—O40ii2.518 (12)
C9—C101.46 (3)Eu1—O41ii2.503 (13)
C10—N21.29 (3)Eu1—O422.458 (16)
C11—C121.44 (3)Eu1—W103.8020 (11)
C11—N21.34 (3)Eu1—W113.7928 (12)
C12—N11.43 (2)K1—O223.044 (13)
C13—C141.32 (3)K1—O333.015 (14)
C13—N31.34 (3)K1—O342.998 (13)
C14—C151.40 (4)K1—O392.941 (14)
C15—C161.41 (4)K1—O41ii2.723 (14)
C16—C171.47 (4)K1—O44iii2.938 (16)
C16—C241.36 (3)K1—O47iii2.949 (17)
C17—C181.30 (4)K1—O57iv3.13 (3)
C18—C191.37 (4)K1—O602.87 (2)
C19—C201.39 (5)K1—W93.918 (6)
C19—C231.42 (3)K1—W103.845 (5)
C20—C211.34 (5)K2—O62.857 (16)
C21—C221.44 (4)K2—O82.885 (16)
C22—N41.30 (3)K2—O92.942 (17)
C23—C241.41 (3)K2—O243.011 (18)
C23—N41.36 (3)K2—O513.135 (17)
C24—N31.35 (3)K2—O533.00 (4)
C25—C261.42 (3)K2—O612.79 (4)
C25—N51.29 (2)K2—W13.814 (11)
C26—C271.39 (3)K2—W33.761 (11)
C27—C281.39 (3)K2—W43.983 (12)
C28—C291.48 (3)K2—W93.919 (12)
C28—C361.35 (3)O1—W11.723 (13)
C29—C301.39 (4)O2—W21.706 (13)
C30—C311.43 (3)O3—W31.706 (13)
C31—C321.38 (3)O4—W11.900 (13)
C31—C351.40 (3)O4—W21.934 (13)
C32—C331.37 (3)O5—W21.932 (12)
C33—C341.41 (3)O5—W31.898 (12)
C34—N61.30 (2)O6—W11.947 (12)
C35—C361.45 (3)O6—W31.882 (12)
C35—N61.36 (2)O7—W11.838 (12)
C36—N51.33 (2)O7—W82.046 (12)
C37—C381.44 (3)O8—W11.951 (12)
C37—N71.31 (2)O8—W91.941 (12)
C38—C391.33 (3)O9—W31.938 (12)
C39—C401.45 (3)O9—W41.963 (13)
C40—C411.38 (3)O10—W31.902 (12)
C40—C481.40 (3)O10—W51.979 (12)
C41—C421.31 (3)O11—W21.924 (13)
C42—C431.47 (3)O11—W61.954 (12)
C43—C441.39 (3)O12—W21.846 (11)
C43—C471.36 (3)O12—W72.031 (11)
C44—C451.36 (3)O13—W41.710 (13)
C45—C461.42 (3)O14—W41.880 (12)
C46—N81.34 (3)O14—W51.960 (12)
C47—C481.39 (3)O15—W51.707 (13)
C47—N81.38 (2)O16—W51.907 (12)
C48—N71.32 (2)O16—W61.931 (12)
C49—C501.49 (4)O17—W61.702 (15)
C49—O451.22 (3)O18—W61.916 (12)
C49—O461.28 (3)O18—W71.947 (13)
C51—C521.51 (3)O19—W71.720 (13)
C51—O431.22 (2)O20—W71.938 (12)
C51—O441.30 (2)O20—W81.890 (12)
C52—K1i3.50 (2)O21—W81.716 (13)
C53—C541.53 (3)O22—W81.966 (12)
C53—O501.23 (2)O22—W91.923 (11)
C53—O511.26 (3)O23—W91.719 (13)
C55—C561.43 (3)O24—W41.933 (12)
C55—O481.22 (2)O24—W91.906 (12)
C55—O491.31 (2)O25—W22.418 (12)
C57—C581.53 (3)O25—W62.351 (12)
C57—Eu1ii2.88 (2)O25—W72.386 (11)
C57—O401.23 (2)O26—W32.384 (11)
C57—O411.27 (2)O26—W42.362 (11)
As1—O251.664 (12)O26—W52.356 (11)
As1—O261.684 (11)O27—W12.421 (11)
As1—O271.669 (11)O27—W82.389 (11)
As1—O281.659 (12)O27—W92.352 (11)
Cu1—Cu23.049 (4)O28—W102.346 (12)
Cu1—N12.006 (18)O28—W112.341 (12)
Cu1—N22.012 (17)O29—W41.807 (12)
Cu1—O362.257 (13)O29—W102.054 (12)
Cu1—O431.947 (15)O30—W51.828 (12)
Cu1—O451.919 (16)O30—W112.035 (12)
Cu2—K1i4.041 (6)O31—W61.890 (13)
Cu2—N31.95 (2)O31—W111.938 (12)
Cu2—N42.017 (17)O32—W71.783 (12)
Cu2—O441.960 (15)O33—W81.790 (12)
Cu2—O461.948 (19)O34—W91.906 (12)
Cu2—O472.217 (17)O34—W101.950 (12)
Cu3—Cu43.005 (4)O35—W101.710 (12)
Cu3—N52.024 (16)O36—W111.728 (12)
Cu3—N61.996 (15)O37—W101.949 (12)
Cu3—O12.341 (14)O37—W111.909 (12)
Cu3—O491.914 (15)O38—W111.778 (11)
Cu3—O511.936 (14)O39—W101.791 (12)
Cu4—N71.978 (16)
N1—C1—C2121 (2)O61—K2—O999.9 (8)
C3—C2—C1120 (3)O61—K2—O24137.9 (9)
C2—C3—C4122 (2)O61—K2—O5179.4 (8)
C3—C4—C5128 (2)O61—K2—O5392.0 (11)
C3—C4—C12117 (2)O61—K2—W177.8 (7)
C12—C4—C5115 (2)O61—K2—W375.1 (8)
C6—C5—C4124 (2)O61—K2—W4126.8 (8)
C5—C6—C7119 (2)O61—K2—W9130.2 (8)
C8—C7—C6124 (2)W1—K2—W481.8 (2)
C11—C7—C6122 (2)W1—K2—W952.46 (15)
C11—C7—C8115 (2)W3—K2—W158.84 (17)
C9—C8—C7121 (2)W3—K2—W452.39 (16)
C8—C9—C10119 (2)W3—K2—W981.0 (2)
N2—C10—C9120 (2)W9—K2—W455.84 (17)
C7—C11—C12116 (2)C1—N1—C12118.4 (18)
N2—C11—C7126 (2)C1—N1—Cu1129.0 (15)
N2—C11—C12118.0 (18)C12—N1—Cu1112.4 (12)
C4—C12—C11124.7 (18)C10—N2—C11119 (2)
C4—C12—N1121.6 (18)C10—N2—Cu1127.7 (18)
N1—C12—C11113.6 (16)C11—N2—Cu1113.3 (14)
C14—C13—N3126 (2)C13—N3—C24113 (2)
C13—C14—C15119 (3)C13—N3—Cu2132.4 (15)
C14—C15—C16118 (3)C24—N3—Cu2114.2 (17)
C15—C16—C17124 (3)C22—N4—C23118 (2)
C24—C16—C15116 (3)C22—N4—Cu2131 (2)
C24—C16—C17119 (3)C23—N4—Cu2111.1 (17)
C18—C17—C16124 (3)C25—N5—C36118.0 (17)
C17—C18—C19118 (3)C25—N5—Cu3129.2 (14)
C18—C19—C20119 (3)C36—N5—Cu3112.8 (12)
C18—C19—C23121 (3)C34—N6—C35118.3 (18)
C20—C19—C23119 (4)C34—N6—Cu3130.9 (15)
C21—C20—C19117 (4)C35—N6—Cu3110.8 (13)
C20—C21—C22122 (3)C37—N7—C48118.3 (19)
N4—C22—C21121 (3)C37—N7—Cu4126.9 (15)
C24—C23—C19120 (3)C48—N7—Cu4114.6 (15)
N4—C23—C19123 (3)C46—N8—C47121 (2)
N4—C23—C24117 (2)C46—N8—Cu4128.5 (16)
C16—C24—C23117 (2)C47—N8—Cu4109.9 (13)
N3—C24—C16127 (3)W1—O1—Cu3134.6 (7)
N3—C24—C23116 (2)W1—O4—W2151.4 (7)
N5—C25—C26123.7 (19)W3—O5—W2152.9 (7)
C27—C26—C25118.0 (19)W1—O6—K2103.5 (5)
C26—C27—C28116 (2)W3—O6—K2103.1 (5)
C27—C28—C29119 (2)W3—O6—W1152.7 (7)
C36—C28—C27121 (2)W1—O7—W8126.5 (6)
C36—C28—C29120 (2)W1—O8—K2102.4 (5)
C30—C29—C28117 (2)W9—O8—K2107.0 (5)
C29—C30—C31124 (2)W9—O8—W1123.0 (7)
C32—C31—C30123 (2)W3—O9—K298.7 (5)
C32—C31—C35120 (2)W3—O9—W4122.8 (6)
C35—C31—C30117 (2)W4—O9—K2106.9 (6)
C33—C32—C31118 (2)W3—O10—W5123.7 (6)
C32—C33—C34119 (2)W2—O11—W6122.9 (7)
N6—C34—C33123 (2)W2—O12—W7126.5 (6)
C31—C35—C36119.9 (19)W4—O14—W5124.5 (6)
N6—C35—C31121 (2)W5—O16—W6148.3 (7)
N6—C35—C36118.2 (17)W6—O18—W7125.1 (7)
C28—C36—C35122.1 (18)W8—O20—W7145.6 (7)
N5—C36—C28122.8 (19)W8—O22—K1101.5 (5)
N5—C36—C35115.1 (16)W9—O22—K1101.8 (5)
N7—C37—C38121 (2)W9—O22—W8124.3 (6)
C39—C38—C37120 (2)W4—O24—K2105.2 (5)
C38—C39—C40121 (2)W9—O24—K2103.4 (5)
C41—C40—C39126 (2)W9—O24—W4149.1 (7)
C41—C40—C48121 (2)As1—O25—W2125.4 (6)
C48—C40—C39112 (2)As1—O25—W6122.7 (6)
C42—C41—C40121 (2)As1—O25—W7123.3 (6)
C41—C42—C43120 (2)W6—O25—W291.2 (4)
C44—C43—C42123 (2)W6—O25—W792.8 (4)
C47—C43—C42117 (2)W7—O25—W292.3 (4)
C47—C43—C44120 (2)As1—O26—W3126.5 (6)
C45—C44—C43121 (2)As1—O26—W4122.8 (6)
C44—C45—C46118 (2)As1—O26—W5121.4 (6)
N8—C46—C45120 (2)W4—O26—W392.4 (4)
C43—C47—C48124 (2)W5—O26—W392.4 (4)
C43—C47—N8119 (2)W5—O26—W492.2 (4)
N8—C47—C48117.0 (18)As1—O27—W1126.1 (6)
C47—C48—C40116.5 (19)As1—O27—W8122.3 (6)
N7—C48—C40127 (2)As1—O27—W9122.5 (6)
N7—C48—C47116 (2)W8—O27—W192.3 (4)
O45—C49—C50117 (3)W9—O27—W191.5 (4)
O45—C49—O46124 (3)W9—O27—W893.0 (4)
O46—C49—C50118 (3)As1—O28—Eu1126.3 (5)
O43—C51—C52120.4 (19)As1—O28—W10122.8 (6)
O43—C51—O44125 (2)As1—O28—W11124.3 (6)
O44—C51—C52114.0 (18)W10—O28—Eu190.3 (4)
C51—C52—K1i85.9 (12)W11—O28—Eu190.2 (4)
O50—C53—C54117 (2)W11—O28—W1092.9 (4)
O50—C53—O51125 (2)W4—O29—W10153.8 (7)
O51—C53—C54118 (2)W5—O30—W11154.5 (7)
O48—C55—C56124 (2)W6—O31—W11157.5 (7)
O48—C55—O49120.2 (19)W7—O32—Eu1161.4 (7)
O49—C55—C56116 (2)Eu1—O33—K195.3 (4)
C58—C57—Eu1ii176.0 (14)W8—O33—Eu1157.3 (7)
O40—C57—C58120.6 (18)W8—O33—K1107.4 (5)
O40—C57—Eu1ii60.7 (10)W9—O34—K1103.8 (5)
O40—C57—O41120.3 (18)W9—O34—W10155.0 (7)
O41—C57—C58119.0 (18)W10—O34—K199.8 (5)
O41—C57—Eu1ii60.1 (10)W11—O36—Cu1148.4 (7)
O25—As1—O26108.0 (6)W11—O37—W10123.3 (6)
O25—As1—O27106.6 (6)W11—O38—Eu1132.3 (6)
O27—As1—O26106.8 (5)Eu1—O39—K196.6 (4)
O28—As1—O25110.8 (6)W10—O39—Eu1132.1 (6)
O28—As1—O26112.1 (6)W10—O39—K1106.2 (5)
O28—As1—O27112.2 (6)C57—O40—Eu1ii94.2 (11)
N1—Cu1—Cu2101.0 (5)C57—O40—Eu1132.9 (12)
N1—Cu1—N282.5 (7)Eu1—O40—Eu1ii113.9 (5)
N1—Cu1—O3689.8 (6)C57—O41—Eu1ii93.9 (11)
N2—Cu1—Cu283.8 (6)C57—O41—K1ii126.4 (11)
N2—Cu1—O36105.3 (7)Eu1ii—O41—K1ii99.1 (4)
O36—Cu1—Cu2166.8 (3)C51—O43—Cu1125.9 (14)
O43—Cu1—Cu279.6 (5)C51—O44—Cu2130.1 (14)
O43—Cu1—N192.2 (7)C51—O44—K1i116.9 (13)
O43—Cu1—N2161.2 (8)Cu2—O44—K1i109.6 (6)
O43—Cu1—O3692.6 (6)C49—O45—Cu1130.5 (19)
O45—Cu1—Cu277.3 (5)C49—O46—Cu2128.1 (18)
O45—Cu1—N1174.8 (7)Cu2—O47—K1i102.0 (6)
O45—Cu1—N292.5 (7)C55—O48—Cu4133.8 (14)
O45—Cu1—O3692.5 (6)C55—O49—Cu3126.7 (14)
O45—Cu1—O4392.3 (6)C53—O50—Cu4128.6 (15)
Cu1—Cu2—K1i118.07 (12)C53—O51—Cu3127.2 (14)
N3—Cu2—Cu189.6 (6)C53—O51—K2111.0 (12)
N3—Cu2—K1i100.6 (5)Cu3—O51—K2121.1 (6)
N3—Cu2—N482.0 (8)O1—W1—K281.7 (5)
N3—Cu2—O4494.3 (7)O1—W1—O4104.1 (6)
N3—Cu2—O47102.5 (7)O1—W1—O6102.5 (5)
N4—Cu2—Cu1107.2 (5)O1—W1—O7102.4 (6)
N4—Cu2—K1i134.7 (5)O1—W1—O898.6 (6)
N4—Cu2—O4789.4 (6)O1—W1—O27168.5 (5)
O44—Cu2—Cu175.4 (5)O4—W1—K2130.9 (4)
O44—Cu2—K1i43.2 (5)O4—W1—O685.1 (5)
O44—Cu2—N4175.3 (8)O4—W1—O8156.7 (5)
O44—Cu2—O4788.8 (6)O4—W1—O2786.1 (5)
O46—Cu2—Cu176.8 (6)O6—W1—K246.8 (4)
O46—Cu2—K1i95.1 (5)O6—W1—O885.1 (5)
O46—Cu2—N3162.8 (8)O6—W1—O2783.3 (4)
O46—Cu2—N491.9 (9)O7—W1—K2135.8 (4)
O46—Cu2—O4492.5 (7)O7—W1—O491.4 (5)
O46—Cu2—O4793.4 (7)O7—W1—O6155.0 (5)
O47—Cu2—Cu1160.8 (4)O7—W1—O888.7 (5)
O47—Cu2—K1i45.5 (4)O7—W1—O2771.7 (4)
N5—Cu3—Cu498.8 (5)O8—W1—K247.6 (4)
N5—Cu3—O185.8 (6)O8—W1—O2771.8 (5)
N6—Cu3—Cu494.9 (5)O27—W1—K295.7 (3)
N6—Cu3—N582.9 (6)O2—W2—O4103.0 (6)
N6—Cu3—O193.3 (6)O2—W2—O5102.2 (6)
O1—Cu3—Cu4171.1 (3)O2—W2—O1199.2 (6)
O49—Cu3—Cu479.5 (5)O2—W2—O12101.9 (6)
O49—Cu3—N5174.9 (6)O2—W2—O25169.0 (5)
O49—Cu3—N692.5 (6)O4—W2—O2585.9 (5)
O49—Cu3—O196.6 (6)O5—W2—O484.6 (5)
O49—Cu3—O5191.5 (6)O5—W2—O2584.8 (5)
O51—Cu3—Cu477.3 (4)O11—W2—O4157.6 (5)
O51—Cu3—N592.8 (6)O11—W2—O588.1 (5)
O51—Cu3—N6170.5 (7)O11—W2—O2572.3 (5)
O51—Cu3—O194.9 (5)O12—W2—O488.4 (5)
N7—Cu4—Cu397.2 (5)O12—W2—O5155.8 (5)
N7—Cu4—N880.9 (7)O12—W2—O1189.7 (5)
N7—Cu4—O5294.8 (7)O12—W2—O2571.6 (4)
N8—Cu4—Cu388.9 (5)O3—W3—K283.1 (5)
N8—Cu4—O52104.3 (7)O3—W3—O5102.3 (6)
O48—Cu4—Cu375.1 (4)O3—W3—O6101.7 (6)
O48—Cu4—N793.5 (6)O3—W3—O9101.4 (6)
O48—Cu4—N8162.4 (7)O3—W3—O10102.1 (6)
O48—Cu4—O5292.8 (6)O3—W3—O26171.3 (5)
O50—Cu4—Cu377.3 (4)O5—W3—K2132.5 (4)
O50—Cu4—N7171.4 (6)O5—W3—O9156.3 (5)
O50—Cu4—N892.2 (6)O5—W3—O1086.4 (5)
O50—Cu4—O4891.5 (6)O5—W3—O2684.2 (5)
O50—Cu4—O5291.9 (6)O6—W3—K247.7 (4)
O52—Cu4—Cu3163.3 (4)O6—W3—O585.5 (5)
C57ii—Eu1—O28140.7 (4)O6—W3—O989.3 (5)
C57ii—Eu1—W10119.6 (4)O6—W3—O10155.9 (5)
C57ii—Eu1—W11171.0 (4)O6—W3—O2684.5 (5)
O28—Eu1—W1038.1 (2)O9—W3—K250.6 (4)
O28—Eu1—W1138.1 (2)O9—W3—O2672.3 (5)
O32—Eu1—C57ii110.5 (5)O10—W3—K2139.3 (4)
O32—Eu1—O2869.3 (4)O10—W3—O989.1 (5)
O32—Eu1—O3371.6 (4)O10—W3—O2672.2 (5)
O32—Eu1—O3883.9 (4)O26—W3—K297.0 (3)
O32—Eu1—O39126.5 (4)O9—W4—K245.0 (4)
O32—Eu1—O4073.4 (4)O9—W4—O2672.5 (5)
O32—Eu1—O40ii89.7 (4)O13—W4—K287.4 (5)
O32—Eu1—O41ii132.6 (4)O13—W4—O999.3 (6)
O32—Eu1—O42144.4 (5)O13—W4—O14100.0 (6)
O32—Eu1—W10106.9 (3)O13—W4—O24103.0 (6)
O32—Eu1—W1177.9 (3)O13—W4—O26168.7 (5)
O33—Eu1—C57ii74.0 (5)O13—W4—O29104.1 (6)
O33—Eu1—O2868.8 (4)O14—W4—K2130.1 (4)
O33—Eu1—O38126.8 (4)O14—W4—O985.3 (5)
O33—Eu1—O3979.3 (4)O14—W4—O24156.4 (5)
O33—Eu1—O40130.0 (4)O14—W4—O2672.1 (4)
O33—Eu1—O40ii79.0 (4)O24—W4—K246.8 (4)
O33—Eu1—O41ii75.2 (4)O24—W4—O986.0 (5)
O33—Eu1—O42143.5 (5)O24—W4—O2684.4 (5)
O33—Eu1—W1075.1 (3)O26—W4—K291.7 (3)
O33—Eu1—W11106.8 (3)O29—W4—K2134.6 (4)
O38—Eu1—C57ii158.6 (5)O29—W4—O9156.6 (5)
O38—Eu1—O2858.4 (4)O29—W4—O1491.6 (5)
O38—Eu1—O3979.0 (4)O29—W4—O2487.8 (5)
O38—Eu1—O40ii148.7 (4)O29—W4—O2684.4 (5)
O38—Eu1—O4082.7 (4)O10—W5—O2671.6 (4)
O38—Eu1—O41ii143.5 (4)O14—W5—O1085.1 (5)
O38—Eu1—O4275.9 (5)O14—W5—O2671.0 (4)
O38—Eu1—W1067.9 (3)O15—W5—O1099.5 (6)
O38—Eu1—W1120.3 (3)O15—W5—O14100.3 (6)
O39—Eu1—C57ii102.9 (5)O15—W5—O16103.2 (6)
O39—Eu1—O2858.5 (4)O15—W5—O26167.6 (5)
O39—Eu1—O40ii127.8 (4)O15—W5—O30105.0 (6)
O39—Eu1—O40150.7 (4)O16—W5—O1086.4 (5)
O39—Eu1—O41ii77.7 (4)O16—W5—O14156.0 (5)
O39—Eu1—O4278.1 (5)O16—W5—O2685.0 (5)
O39—Eu1—W1020.5 (3)O30—W5—O10155.5 (5)
O39—Eu1—W1168.8 (3)O30—W5—O1490.4 (5)
O40—Eu1—C57ii86.3 (5)O30—W5—O1688.2 (5)
O40ii—Eu1—C57ii25.1 (5)O30—W5—O2684.2 (5)
O40—Eu1—O28127.7 (4)O11—W6—O2573.4 (5)
O40ii—Eu1—O28145.6 (4)O16—W6—O1184.0 (5)
O40—Eu1—O40ii66.1 (5)O16—W6—O2584.5 (5)
O40—Eu1—O41ii105.3 (4)O17—W6—O1199.5 (6)
O40ii—Eu1—W10142.6 (3)O17—W6—O16103.0 (6)
O40—Eu1—W10150.3 (3)O17—W6—O18100.3 (6)
O40—Eu1—W1199.5 (3)O17—W6—O25169.3 (5)
O40ii—Eu1—W11163.4 (3)O17—W6—O31103.9 (6)
O41ii—Eu1—C57ii26.0 (5)O18—W6—O1186.9 (5)
O41ii—Eu1—O28126.9 (4)O18—W6—O16156.0 (5)
O41ii—Eu1—O40ii51.0 (4)O18—W6—O2571.6 (5)
O41ii—Eu1—W1096.0 (3)O31—W6—O11156.0 (6)
O41ii—Eu1—W11145.1 (3)O31—W6—O1685.9 (5)
O42—Eu1—C57ii83.6 (5)O31—W6—O1893.7 (5)
O42—Eu1—O28120.3 (4)O31—W6—O2584.0 (5)
O42—Eu1—O40ii92.8 (4)O12—W7—O2569.6 (4)
O42—Eu1—O4075.3 (5)O18—W7—O1282.9 (5)
O42—Eu1—O41ii72.2 (5)O18—W7—O2570.3 (5)
O42—Eu1—W1092.3 (3)O19—W7—O1299.3 (5)
O42—Eu1—W1191.2 (4)O19—W7—O18101.6 (6)
W11—Eu1—W1053.13 (2)O19—W7—O20102.8 (6)
C52iii—K1—W971.8 (3)O19—W7—O25166.6 (5)
C52iii—K1—W10119.0 (3)O19—W7—O32103.9 (6)
O22—K1—C52iii70.7 (4)O20—W7—O1285.6 (5)
O22—K1—O57iv140.4 (5)O20—W7—O18154.4 (5)
O22—K1—W928.7 (2)O20—W7—O2584.2 (5)
O22—K1—W1079.3 (3)O32—W7—O12156.8 (5)
O33—K1—C52iii120.5 (4)O32—W7—O1892.0 (6)
O33—K1—O2251.9 (3)O32—W7—O2089.6 (5)
O33—K1—O57iv145.9 (5)O32—W7—O2587.3 (5)
O33—K1—W965.6 (3)O7—W8—K1132.6 (3)
O33—K1—W1068.4 (3)O7—W8—O2769.4 (4)
O34—K1—C52iii93.7 (4)O20—W8—K1139.3 (4)
O34—K1—O2252.8 (3)O20—W8—O784.7 (5)
O34—K1—O3365.7 (3)O20—W8—O22154.5 (5)
O34—K1—O57iv148.0 (5)O20—W8—O2784.1 (4)
O34—K1—W928.2 (2)O21—W8—K188.8 (4)
O34—K1—W1030.0 (2)O21—W8—O798.4 (5)
O39—K1—C52iii145.6 (4)O21—W8—O20102.9 (6)
O39—K1—O2293.0 (4)O21—W8—O22101.2 (6)
O39—K1—O3360.4 (3)O21—W8—O27165.6 (5)
O39—K1—O3453.7 (3)O21—W8—O33104.3 (6)
O39—K1—O47iii68.9 (4)O22—W8—K149.2 (4)
O39—K1—O57iv126.6 (5)O22—W8—O783.5 (5)
O39—K1—W979.6 (3)O22—W8—O2770.6 (4)
O39—K1—W1026.6 (2)O27—W8—K194.1 (3)
O41ii—K1—C52iii148.8 (4)O33—W8—K146.9 (4)
O41ii—K1—O22111.7 (4)O33—W8—O7157.2 (5)
O41ii—K1—O3361.8 (4)O33—W8—O2092.4 (6)
O41ii—K1—O34112.8 (4)O33—W8—O2289.7 (5)
O41ii—K1—O3965.1 (4)O33—W8—O2787.8 (5)
O41ii—K1—O44iii152.5 (5)K1—W9—K2170.51 (18)
O41ii—K1—O47iii97.8 (5)O8—W9—K1138.1 (4)
O41ii—K1—O57iv89.7 (6)O8—W9—K244.8 (4)
O41ii—K1—O6085.4 (5)O8—W9—O2773.6 (5)
O41ii—K1—W9126.0 (3)O22—W9—K149.5 (4)
O41ii—K1—W1091.4 (3)O22—W9—K2133.6 (4)
O44iii—K1—C52iii41.9 (4)O22—W9—O889.1 (5)
O44iii—K1—O2295.8 (4)O22—W9—O2772.1 (4)
O44iii—K1—O33144.1 (4)O23—W9—K184.5 (4)
O44iii—K1—O3482.7 (4)O23—W9—K286.0 (5)
O44iii—K1—O39114.3 (4)O23—W9—O899.7 (6)
O44iii—K1—O47iii59.6 (5)O23—W9—O22100.2 (6)
O44iii—K1—O57iv68.3 (6)O23—W9—O24101.4 (6)
O44iii—K1—W978.5 (3)O23—W9—O27169.6 (5)
O44iii—K1—W1092.9 (3)O23—W9—O34103.3 (6)
O47iii—K1—C52iii100.8 (5)O24—W9—K1133.4 (4)
O47iii—K1—O22134.9 (4)O24—W9—K248.4 (4)
O47iii—K1—O33129.3 (4)O24—W9—O887.0 (5)
O47iii—K1—O3485.0 (4)O24—W9—O22158.4 (5)
O47iii—K1—O57iv69.1 (6)O24—W9—O2786.4 (5)
O47iii—K1—W9106.2 (3)O24—W9—O3486.2 (5)
O47iii—K1—W1066.3 (3)O27—W9—K195.2 (3)
O57iv—K1—C52iii74.0 (6)O27—W9—K294.2 (3)
O57iv—K1—W9143.9 (5)O34—W9—K148.0 (4)
O57iv—K1—W10135.1 (5)O34—W9—K2134.4 (4)
O60—K1—C52iii65.5 (5)O34—W9—O8156.9 (5)
O60—K1—O2271.4 (5)O34—W9—O2289.2 (5)
O60—K1—O3381.2 (5)O34—W9—O2784.0 (5)
O60—K1—O34124.3 (5)Eu1—W10—K162.71 (8)
O60—K1—O39139.1 (5)O28—W10—Eu151.5 (3)
O60—K1—O44iii105.0 (6)O28—W10—K196.7 (3)
O60—K1—O47iii146.8 (6)O29—W10—Eu1134.6 (3)
O60—K1—O57iv77.9 (6)O29—W10—K1131.3 (3)
O60—K1—W998.0 (5)O29—W10—O2883.1 (4)
O60—K1—W10146.9 (5)O34—W10—Eu191.0 (3)
W10—K1—W957.99 (8)O34—W10—K150.2 (4)
O6—K2—O854.6 (4)O34—W10—O2884.5 (5)
O6—K2—O955.1 (4)O34—W10—O2981.6 (5)
O6—K2—O2465.4 (4)O35—W10—Eu1128.4 (4)
O6—K2—O5196.5 (5)O35—W10—K188.6 (4)
O6—K2—O53104.3 (9)O35—W10—O28172.9 (5)
O6—K2—W129.8 (3)O35—W10—O2996.9 (5)
O6—K2—W329.2 (3)O35—W10—O34102.5 (5)
O6—K2—W465.8 (3)O35—W10—O37101.8 (5)
O6—K2—W965.6 (3)O35—W10—O39101.6 (6)
O8—K2—O991.4 (5)O37—W10—Eu182.6 (3)
O8—K2—O2453.3 (4)O37—W10—K1141.5 (3)
O8—K2—O5159.6 (4)O37—W10—O2871.2 (4)
O8—K2—O53146.2 (10)O37—W10—O2984.6 (5)
O8—K2—W130.0 (3)O37—W10—O34153.3 (5)
O8—K2—W380.2 (4)O39—W10—Eu127.5 (4)
O8—K2—W477.8 (4)O39—W10—K147.3 (4)
O8—K2—W928.3 (3)O39—W10—O2878.9 (5)
O9—K2—O2453.0 (4)O39—W10—O29161.3 (5)
O9—K2—O51149.3 (5)O39—W10—O3491.6 (5)
O9—K2—O5356.1 (9)O39—W10—O3794.2 (5)
O9—K2—W181.4 (4)O28—W11—Eu151.7 (3)
O9—K2—W330.6 (3)O30—W11—Eu1133.9 (3)
O9—K2—W428.1 (3)O30—W11—O2882.3 (5)
O9—K2—W977.8 (4)O31—W11—Eu189.7 (4)
O24—K2—O51107.7 (5)O31—W11—O2882.7 (5)
O24—K2—W167.5 (3)O31—W11—O3080.3 (5)
O24—K2—W366.9 (3)O36—W11—Eu1129.6 (4)
O24—K2—W427.9 (3)O36—W11—O28173.3 (5)
O24—K2—W928.2 (2)O36—W11—O3096.5 (5)
O51—K2—W168.4 (3)O36—W11—O31103.6 (6)
O51—K2—W3124.8 (4)O36—W11—O37101.4 (5)
O51—K2—W4135.4 (4)O36—W11—O38102.6 (6)
O51—K2—W979.6 (3)O37—W11—Eu183.3 (3)
O53—K2—O2495.3 (9)O37—W11—O2871.9 (4)
O53—K2—O51154.0 (10)O37—W11—O3085.4 (5)
O53—K2—W1134.0 (9)O37—W11—O31152.3 (5)
O53—K2—W375.2 (8)O38—W11—Eu127.4 (4)
O53—K2—W468.9 (8)O38—W11—O2879.1 (5)
O53—K2—W9123.2 (9)O38—W11—O30160.7 (5)
O61—K2—O672.6 (8)O38—W11—O3192.6 (5)
O61—K2—O8103.8 (8)O38—W11—O3793.3 (5)
Symmetry codes: (i) x, y1, z; (ii) x+1/2, y+1/2, z+1/2; (iii) x, y+1, z; (iv) x+1/2, y+3/2, z+1/2.
(fhsp21c) top
Crystal data top
K2{[Cu2(H2O)(C12H8N2)2(C2H3O2)2]4[Gd2(H2O)2(C2H3O2)2 (AsW11O39)2]}·22H2OF(000) = 16000
Mr = 8821.61Dx = 2.965 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.5038 (7) ÅCell parameters from 19211 reflections
b = 14.1439 (4) Åθ = 3.2–28.4°
c = 48.2029 (12) ŵ = 14.73 mm1
β = 108.131 (3)°T = 190 K
V = 19764.2 (9) Å3Block, blue
Z = 40.08 × 0.07 × 0.02 mm
Data collection top
Agulent Xcalibur Sapphire3
diffractometer
18730 independent reflections
Radiation source: Enhance (Mo) X-ray Source15124 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.078
Detector resolution: 15.9853 pixels mm-1θmax = 25.7°, θmin = 3.1°
ω scansh = 3737
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
k = 1717
Tmin = 0.313, Tmax = 1.000l = 5858
123422 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.045H-atom parameters constrained
wR(F2) = 0.100 w = 1/[σ2(Fo2) + (0.0228P)2 + 986.8466P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.001
18730 reflectionsΔρmax = 2.98 e Å3
677 parametersΔρmin = 1.85 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.2858 (4)0.3884 (10)0.1072 (3)0.023 (3)*
H10.2641170.3950930.1169980.028*
C20.2710 (5)0.3752 (11)0.0773 (3)0.029 (3)*
H20.2396000.3733200.0672210.035*
C30.3021 (5)0.3648 (11)0.0624 (3)0.033 (3)*
H30.2916590.3553730.0423260.039*
C40.3496 (5)0.3681 (11)0.0771 (3)0.027 (3)*
C50.3848 (5)0.3583 (12)0.0640 (3)0.040 (4)*
H50.3770940.3532170.0438330.048*
C60.4295 (5)0.3561 (12)0.0805 (3)0.039 (4)*
H60.4521460.3467460.0715060.047*
C70.4427 (4)0.3677 (11)0.1111 (3)0.026 (3)*
C80.4892 (5)0.3639 (11)0.1299 (3)0.031 (3)*
H80.5128820.3518580.1221100.037*
C90.4991 (5)0.3773 (12)0.1587 (3)0.038 (4)*
H90.5294220.3750500.1708880.045*
C100.4621 (5)0.3951 (11)0.1702 (3)0.030 (3)*
H100.4689070.4065310.1900470.036*
C110.4094 (4)0.3824 (11)0.1248 (3)0.027 (3)*
C120.3617 (4)0.3820 (9)0.1072 (2)0.017 (3)*
C130.3330 (5)0.1618 (11)0.1239 (3)0.033 (3)*
H130.3049910.1738310.1270980.040*
C140.3326 (5)0.1355 (12)0.0967 (3)0.039 (4)*
H140.3048640.1308080.0816090.047*
C150.3736 (6)0.1160 (13)0.0916 (4)0.048 (4)*
H150.3738010.0991530.0729420.058*
C160.4145 (5)0.1214 (12)0.1142 (3)0.039 (4)*
C170.4605 (6)0.1049 (14)0.1119 (4)0.056 (5)*
H170.4636600.0904240.0937600.067*
C180.4986 (7)0.1102 (15)0.1355 (4)0.061 (5)*
H180.5270420.0959580.1332700.073*
C190.4972 (5)0.1365 (13)0.1636 (3)0.041 (4)*
C200.5350 (6)0.1441 (14)0.1885 (4)0.053 (5)*
H200.5644080.1295550.1878180.064*
C210.5288 (6)0.1729 (14)0.2139 (4)0.050 (5)*
H210.5539780.1783140.2306850.060*
C220.4848 (5)0.1944 (13)0.2148 (4)0.042 (4)*
H220.4812060.2140640.2324250.051*
C230.4529 (5)0.1573 (12)0.1659 (3)0.035 (4)*
C240.4122 (5)0.1491 (11)0.1413 (3)0.030 (3)*
C250.1019 (4)1.1980 (10)0.1276 (3)0.020 (3)*
H250.1246801.2056020.1186930.025*
C260.1140 (5)1.2046 (10)0.1580 (3)0.026 (3)*
H260.1442771.2182790.1690020.032*
C270.0813 (4)1.1908 (11)0.1715 (3)0.028 (3)*
H270.0889391.1946720.1916580.033*
C280.0357 (4)1.1706 (11)0.1542 (3)0.027 (3)*
C290.0018 (5)1.1577 (12)0.1665 (3)0.038 (4)*
H290.0041481.1597680.1866350.046*
C300.0451 (5)1.1426 (12)0.1488 (3)0.039 (4)*
H300.0686271.1348620.1571040.047*
C310.0561 (5)1.1382 (11)0.1175 (3)0.028 (3)*
C320.1007 (5)1.1262 (11)0.0977 (3)0.035 (4)*
H320.1260801.1207170.1044090.042*
C330.1059 (5)1.1229 (12)0.0686 (3)0.036 (4)*
H330.1350971.1135740.0553170.043*
C340.0686 (4)1.1330 (10)0.0584 (3)0.028 (3)*
H340.0733421.1291950.0384670.033*
C350.0202 (4)1.1504 (10)0.1059 (3)0.024 (3)*
C360.0262 (4)1.1690 (10)0.1247 (3)0.019 (3)*
C370.0602 (5)1.4131 (10)0.1160 (3)0.027 (3)*
H370.0884911.4198830.1127340.033*
C380.0585 (5)1.4200 (11)0.1451 (3)0.031 (3)*
H380.0850831.4333720.1603600.038*
C390.0183 (5)1.4073 (11)0.1503 (3)0.034 (4)*
H390.0172531.4082100.1693880.041*
C400.0231 (4)1.3923 (11)0.1266 (3)0.027 (3)*
C410.0684 (5)1.3815 (11)0.1294 (3)0.034 (3)*
H410.0719711.3798220.1478370.041*
C420.1051 (5)1.3739 (11)0.1061 (3)0.032 (3)*
H420.1340741.3695240.1085200.039*
C430.1013 (5)1.3723 (11)0.0770 (3)0.029 (3)*
C440.1381 (5)1.3607 (11)0.0513 (3)0.030 (3)*
H440.1678631.3518380.0521600.036*
C450.1304 (5)1.3622 (11)0.0248 (3)0.034 (3)*
H450.1548761.3610260.0075370.040*
C460.0853 (4)1.3657 (10)0.0243 (3)0.026 (3)*
H460.0800681.3621550.0063260.031*
C470.0575 (4)1.3777 (10)0.0737 (3)0.022 (3)*
C480.0181 (4)1.3892 (10)0.0989 (3)0.019 (3)*
C490.1060 (4)1.2822 (11)0.0626 (3)0.025 (3)*
C500.1569 (5)1.2932 (13)0.0661 (3)0.042 (4)*
H50A0.1717121.2325620.0698010.062*
H50B0.1708551.3349160.0821000.062*
H50C0.1604281.3192140.0484690.062*
C510.0016 (4)1.2173 (9)0.0073 (2)0.015 (3)*
C520.0068 (5)1.1911 (12)0.0232 (3)0.038 (4)*
H52A0.0031161.1240660.0245840.058*
H52B0.0147561.2233800.0307070.058*
H52C0.0376801.2087120.0343470.058*
C530.2907 (4)0.3022 (10)0.1780 (3)0.024 (3)*
C540.2431 (5)0.2936 (11)0.1808 (3)0.030 (3)*
H54A0.2182120.2946820.1624450.036*
H54B0.2370020.3353370.1951430.036*
C550.4032 (5)0.3738 (13)0.2260 (3)0.040 (4)*
C560.4195 (10)0.414 (2)0.2561 (6)0.129 (11)*
H56A0.4253820.4802510.2551130.194*
H56B0.4472930.3824250.2671820.194*
H56C0.3961400.4047100.2653900.194*
C570.2416 (4)0.5854 (10)0.2410 (3)0.020 (3)*
C580.2510 (5)0.5131 (12)0.2198 (3)0.039 (4)*
H58A0.2638200.4567140.2303430.059*
H58B0.2724540.5392270.2109580.059*
H58C0.2226630.4979650.2049600.059*
As10.20447 (3)0.79665 (8)0.12498 (2)0.0069 (2)*
Cu10.36109 (5)0.41223 (12)0.16475 (3)0.0223 (4)
Cu20.38088 (5)0.21146 (13)0.18734 (4)0.0265 (4)
Cu30.03308 (5)1.16401 (12)0.06775 (3)0.0187 (3)
Cu40.01738 (5)1.36939 (12)0.05206 (3)0.0194 (3)
Gd10.27088 (2)0.79110 (4)0.21485 (2)0.01296 (13)
K10.21958 (12)0.4292 (3)0.29370 (8)0.0131 (8)*0.6667
K20.1494 (2)1.0655 (5)0.03776 (14)0.0082 (14)*0.3333
N10.3307 (3)0.3918 (8)0.1223 (2)0.023 (2)*
N20.4188 (4)0.3961 (8)0.1537 (2)0.024 (3)*
N30.4475 (4)0.1877 (10)0.1914 (3)0.036 (3)*
N40.3720 (4)0.1712 (9)0.1464 (2)0.026 (3)*
N50.0589 (3)1.1812 (8)0.1111 (2)0.019 (2)*
N60.0256 (3)1.1482 (8)0.0764 (2)0.023 (2)*
N70.0233 (3)1.3974 (8)0.0937 (2)0.020 (2)*
N80.0489 (3)1.3738 (8)0.0483 (2)0.020 (2)*
O10.2640 (3)0.5750 (6)0.05761 (17)0.0203 (19)*
O20.1118 (3)0.8081 (7)0.01183 (18)0.023 (2)*
O30.2865 (3)0.9605 (6)0.05721 (17)0.0195 (19)*
O40.1975 (3)0.8818 (6)0.04340 (17)0.0184 (19)*
O50.1860 (2)0.6950 (6)0.04424 (16)0.0128 (17)*
O60.2695 (3)0.7712 (6)0.06476 (17)0.0176 (18)*
O70.2841 (3)0.6632 (6)0.11240 (16)0.0151 (18)*
O80.2033 (3)0.5868 (6)0.09148 (16)0.0151 (18)*
O90.1174 (3)0.7202 (6)0.06561 (16)0.0139 (17)*
O100.1278 (3)0.9004 (6)0.06551 (17)0.0170 (18)*
O110.2260 (3)0.9919 (6)0.09033 (16)0.0148 (17)*
O120.2965 (3)0.8819 (6)0.11194 (16)0.0152 (18)*
O130.2099 (2)0.7919 (6)0.09140 (15)0.0102 (16)*
O140.3440 (3)0.5668 (6)0.16013 (17)0.0190 (19)*
O150.1883 (3)0.4298 (6)0.12443 (17)0.0181 (19)*
O160.0364 (3)0.6530 (6)0.07587 (17)0.0175 (18)*
O170.0544 (3)1.0059 (6)0.07538 (17)0.0183 (19)*
O180.2273 (3)1.1619 (6)0.12113 (17)0.0181 (18)*
O190.3645 (3)0.9588 (6)0.16001 (17)0.0188 (19)*
O200.2458 (3)0.5857 (6)0.14771 (17)0.0166 (18)*
O210.1227 (2)0.5702 (6)0.09960 (16)0.0117 (17)*
O220.0847 (2)0.8231 (6)0.09796 (16)0.0119 (17)*
O230.1485 (3)1.0504 (6)0.09834 (16)0.0151 (17)*
O240.2679 (3)0.9893 (6)0.14624 (16)0.0164 (18)*
O250.3400 (2)0.7679 (6)0.15592 (16)0.0119 (17)*
O260.2553 (2)0.7872 (6)0.15077 (15)0.0111 (16)*
O270.1686 (3)0.7104 (6)0.12766 (16)0.0143 (17)*
O280.1786 (2)0.9000 (6)0.12721 (16)0.0117 (17)*
O290.3053 (3)0.6738 (6)0.19342 (17)0.0163 (18)*
O300.1618 (3)0.5680 (6)0.15700 (17)0.0170 (18)*
O310.0903 (3)0.6779 (6)0.13383 (16)0.0146 (18)*
O320.1068 (3)0.9749 (6)0.13336 (16)0.0139 (17)*
O330.1894 (3)1.0527 (6)0.15590 (16)0.0163 (18)*
O340.3148 (3)0.8855 (6)0.19282 (16)0.0161 (18)*
O350.1327 (2)0.8241 (6)0.16664 (16)0.0126 (17)*
O360.2155 (3)0.9029 (6)0.19043 (16)0.0152 (18)*
O370.2030 (3)0.7106 (6)0.19110 (16)0.0152 (18)*
O380.1398 (3)0.9998 (7)0.19513 (18)0.022 (2)*
O390.1188 (3)0.6549 (7)0.19540 (17)0.0209 (19)*
O400.3486 (3)0.7711 (7)0.24835 (19)0.028 (2)*
O410.3048 (3)0.3838 (7)0.1743 (2)0.030 (2)*
O420.3147 (3)0.2275 (7)0.18089 (19)0.027 (2)*
O430.3962 (3)0.4326 (8)0.2054 (2)0.033 (2)*
O440.3962 (3)0.2859 (8)0.2237 (2)0.036 (2)*
O450.3775 (3)0.0761 (8)0.2099 (2)0.034 (2)*
O460.0034 (3)1.1531 (7)0.0263 (2)0.030 (2)*
O470.0069 (3)1.3037 (7)0.01430 (18)0.024 (2)*
O480.0901 (3)1.2007 (7)0.06119 (18)0.023 (2)*
O490.0838 (3)1.3577 (7)0.06145 (19)0.029 (2)*
O500.0202 (3)1.5065 (8)0.0309 (2)0.043 (3)*
O510.2118 (3)0.5673 (6)0.25312 (17)0.0175 (18)*
O600.2940 (4)0.3566 (9)0.2755 (2)0.051 (3)*
O530.2500000.5089 (12)0.0000000.042 (4)*
O540.1774 (4)0.4092 (10)0.0086 (3)0.066 (4)*
O550.4560 (4)0.5971 (11)0.2101 (3)0.066 (4)*
O560.0608 (7)1.0106 (17)0.0056 (5)0.142 (8)*
O570.3334 (4)0.2031 (10)0.2535 (3)0.064 (4)*
O580.1230 (3)0.5164 (8)0.0371 (2)0.041 (3)*
O590.4138 (5)0.7653 (12)0.2125 (3)0.080 (4)*
O520.2647 (3)0.6607 (6)0.24620 (16)0.0147 (17)*
W10.24198 (2)0.65823 (4)0.07560 (2)0.01242 (11)
W20.14882 (2)0.80162 (4)0.04626 (2)0.01327 (11)
W30.25671 (2)0.89631 (4)0.07489 (2)0.01261 (11)
W40.30355 (2)0.65509 (4)0.15660 (2)0.01154 (10)
W50.18532 (2)0.54976 (4)0.12534 (2)0.01255 (11)
W60.09119 (2)0.68787 (4)0.09543 (2)0.01235 (11)
W70.10402 (2)0.94962 (4)0.09536 (2)0.01290 (11)
W80.21144 (2)1.04653 (4)0.12272 (2)0.01250 (10)
W90.31549 (2)0.89373 (4)0.15608 (2)0.01125 (10)
W100.16043 (2)0.94565 (4)0.16979 (2)0.01275 (11)
W110.14485 (2)0.68943 (4)0.17006 (2)0.01261 (11)
O0AA0.2500000.7198 (18)0.0000000.092 (7)*
O1AA0.1211 (5)1.4495 (13)0.2163 (4)0.095 (5)*
O2AA0.5456 (6)0.5373 (14)0.2382 (4)0.104 (6)*
O3AA0.3654 (7)0.5843 (18)0.2504 (5)0.145 (8)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0237 (8)0.0190 (9)0.0270 (8)0.0019 (7)0.0118 (7)0.0015 (7)
Cu20.0203 (8)0.0232 (10)0.0360 (9)0.0014 (7)0.0091 (7)0.0044 (8)
Cu30.0220 (8)0.0175 (9)0.0156 (7)0.0002 (7)0.0042 (6)0.0024 (6)
Cu40.0212 (8)0.0164 (9)0.0208 (8)0.0010 (7)0.0067 (6)0.0017 (7)
Gd10.0156 (3)0.0130 (3)0.0106 (3)0.0005 (2)0.0047 (2)0.0004 (2)
W10.0140 (2)0.0131 (3)0.0110 (2)0.0001 (2)0.00519 (18)0.00210 (19)
W20.0153 (2)0.0155 (3)0.0088 (2)0.0002 (2)0.00331 (18)0.00040 (19)
W30.0148 (2)0.0132 (3)0.0109 (2)0.0019 (2)0.00554 (18)0.00075 (19)
W40.0123 (2)0.0105 (3)0.0121 (2)0.00198 (19)0.00421 (18)0.00046 (19)
W50.0127 (2)0.0105 (3)0.0140 (2)0.00076 (19)0.00355 (18)0.0004 (2)
W60.0112 (2)0.0137 (3)0.0122 (2)0.00127 (19)0.00376 (18)0.00023 (19)
W70.0131 (2)0.0124 (3)0.0124 (2)0.0029 (2)0.00274 (18)0.0017 (2)
W80.0139 (2)0.0106 (3)0.0126 (2)0.00076 (19)0.00352 (18)0.00059 (19)
W90.0118 (2)0.0107 (3)0.0116 (2)0.00072 (19)0.00413 (17)0.00041 (19)
W100.0137 (2)0.0137 (3)0.0111 (2)0.0030 (2)0.00416 (18)0.00048 (19)
W110.0130 (2)0.0146 (3)0.0102 (2)0.00172 (19)0.00373 (18)0.00095 (19)
Geometric parameters (Å, º) top
C1—C21.383 (18)Cu3—O481.932 (9)
C1—N11.338 (16)Cu4—N71.998 (10)
C2—C31.361 (19)Cu4—N81.973 (10)
C3—C41.403 (19)Cu4—O471.979 (9)
C4—C51.414 (19)Cu4—O491.940 (9)
C4—C121.392 (17)Cu4—O502.207 (12)
C5—C61.35 (2)Gd1—K1ii3.997 (4)
C6—C71.415 (19)Gd1—O292.366 (8)
C7—C81.425 (18)Gd1—O342.365 (8)
C7—C111.390 (18)Gd1—O362.345 (8)
C8—C91.335 (19)Gd1—O372.328 (8)
C9—C101.425 (19)Gd1—O402.435 (9)
C10—N21.313 (16)Gd1—O51ii2.483 (8)
C11—C121.438 (17)Gd1—O522.429 (8)
C11—N21.343 (16)Gd1—O52ii2.537 (8)
C12—N11.366 (15)K1—O24ii3.027 (9)
C13—C141.36 (2)K1—O33ii3.079 (8)
C13—N41.344 (17)K1—O34ii2.969 (9)
C14—C151.38 (2)K1—O36ii3.033 (9)
C15—C161.38 (2)K1—O42i2.880 (10)
C16—C171.46 (2)K1—O45i2.914 (10)
C16—C241.38 (2)K1—O512.722 (9)
C17—C181.35 (2)K1—O602.866 (12)
C18—C191.42 (2)K1—O57i3.000 (14)
C19—C201.38 (2)K1—W8ii3.937 (4)
C19—C231.42 (2)K1—W9ii3.858 (4)
C20—C211.36 (2)K2—O42.954 (11)
C21—C221.39 (2)K2—O102.868 (11)
C22—N31.332 (19)K2—O113.045 (10)
C23—C241.431 (19)K2—O232.937 (10)
C23—N31.360 (18)K2—O483.079 (11)
C24—N41.362 (17)K2—O562.78 (2)
C25—C261.399 (17)K2—W23.755 (7)
C25—N51.328 (15)K2—W33.999 (7)
C26—C271.362 (18)K2—W73.834 (7)
C27—C281.409 (18)K2—W83.950 (6)
C28—C291.454 (19)O1—W11.719 (9)
C28—C361.360 (17)O2—W21.695 (8)
C29—C301.35 (2)O3—W31.690 (8)
C30—C311.445 (19)O4—W21.906 (8)
C31—C321.406 (19)O4—W31.976 (8)
C31—C351.387 (18)O5—W11.965 (7)
C32—C331.37 (2)O5—W21.909 (8)
C33—C341.377 (19)O6—W11.951 (9)
C34—N61.346 (16)O6—W31.908 (9)
C35—C361.448 (17)O7—W11.839 (7)
C35—N61.377 (16)O7—W42.029 (7)
C36—N51.365 (15)O8—W11.888 (8)
C37—C381.421 (18)O8—W51.948 (8)
C37—N71.311 (16)O9—W21.916 (8)
C38—C391.338 (19)O9—W61.906 (7)
C39—C401.430 (19)O10—W21.895 (8)
C40—C411.440 (19)O10—W71.932 (8)
C40—C481.390 (17)O11—W31.922 (8)
C41—C421.318 (19)O11—W81.914 (8)
C42—C431.443 (19)O12—W31.831 (7)
C43—C441.399 (18)O12—W92.031 (7)
C43—C471.397 (18)O13—W12.360 (8)
C44—C451.367 (19)O13—W22.388 (7)
C45—C461.384 (18)O13—W32.358 (7)
C46—N81.335 (16)O14—W41.726 (8)
C47—C481.426 (17)O15—W51.700 (9)
C47—N81.334 (15)O16—W61.717 (8)
C48—N71.368 (15)O17—W71.716 (8)
C49—C501.519 (19)O18—W81.711 (9)
C49—O481.244 (16)O19—W91.714 (8)
C49—O491.257 (16)O20—W41.944 (8)
C50—K23.478 (19)O20—W51.894 (8)
C51—C521.459 (18)O21—W51.949 (7)
C51—O461.280 (15)O21—W61.901 (8)
C51—O471.264 (15)O22—W61.931 (8)
C53—C541.506 (18)O22—W71.900 (8)
C53—O411.264 (16)O23—W71.942 (8)
C53—O421.269 (16)O23—W81.915 (7)
C54—K1i3.445 (15)O24—W81.921 (8)
C55—C561.49 (3)O24—W91.932 (8)
C55—O431.261 (18)O25—W41.952 (8)
C55—O441.261 (19)O25—W91.932 (8)
C57—C581.533 (19)O26—W42.340 (8)
C57—Gd1ii2.870 (13)O26—W92.327 (8)
C57—O511.251 (14)O27—W52.339 (8)
C57—O521.258 (15)O27—W62.409 (7)
As1—O131.679 (7)O27—W112.390 (7)
As1—O261.664 (7)O28—W72.420 (7)
As1—O271.671 (8)O28—W82.341 (8)
As1—O281.679 (8)O28—W102.377 (7)
Cu1—Cu23.034 (2)O29—W41.779 (8)
Cu1—N11.989 (10)O30—W51.895 (8)
Cu1—N22.005 (11)O30—W111.954 (9)
Cu1—O142.243 (9)O31—W61.866 (7)
Cu1—O411.951 (9)O31—W112.010 (7)
Cu1—O431.939 (9)O32—W71.842 (7)
Cu2—K1i3.991 (4)O32—W102.036 (7)
Cu2—N32.009 (12)O33—W81.921 (8)
Cu2—N41.988 (11)O33—W101.972 (8)
Cu2—O421.959 (9)O34—W91.781 (8)
Cu2—O441.970 (10)O35—W101.901 (8)
Cu2—O452.220 (11)O35—W111.938 (8)
Cu3—Cu43.002 (2)O36—W101.772 (8)
Cu3—N52.004 (10)O37—W111.773 (7)
Cu3—N61.975 (10)O38—W101.719 (8)
Cu3—O172.326 (9)O39—W111.722 (8)
Cu3—O461.924 (9)
N1—C1—C2121.2 (12)O56—K2—O23103.1 (5)
C3—C2—C1120.6 (13)O56—K2—O4878.3 (5)
C2—C3—C4120.6 (13)O56—K2—W275.3 (5)
C3—C4—C5125.5 (13)O56—K2—W3127.0 (6)
C12—C4—C3115.4 (12)O56—K2—W777.1 (5)
C12—C4—C5119.1 (12)O56—K2—W8129.0 (5)
C6—C5—C4120.7 (15)W2—K2—W352.24 (9)
C5—C6—C7121.2 (15)W2—K2—W758.75 (11)
C6—C7—C8124.3 (13)W2—K2—W880.59 (13)
C11—C7—C6120.0 (12)W7—K2—W381.37 (13)
C11—C7—C8115.7 (12)W7—K2—W852.03 (9)
C9—C8—C7120.9 (14)W8—K2—W355.54 (9)
C8—C9—C10118.5 (14)C1—N1—C12118.0 (11)
N2—C10—C9122.4 (13)C1—N1—Cu1129.4 (9)
C7—C11—C12118.3 (12)C12—N1—Cu1112.7 (8)
N2—C11—C7124.1 (12)C10—N2—C11118.4 (12)
N2—C11—C12117.6 (11)C10—N2—Cu1129.9 (9)
C4—C12—C11120.5 (11)C11—N2—Cu1111.7 (8)
N1—C12—C4124.3 (11)C22—N3—C23118.5 (13)
N1—C12—C11115.1 (11)C22—N3—Cu2129.9 (11)
N4—C13—C14123.1 (14)C23—N3—Cu2111.6 (9)
C13—C14—C15119.4 (15)C13—N4—C24116.8 (12)
C14—C15—C16119.7 (16)C13—N4—Cu2130.0 (10)
C15—C16—C17125.6 (16)C24—N4—Cu2113.2 (9)
C15—C16—C24117.7 (15)C25—N5—C36117.8 (10)
C24—C16—C17116.7 (14)C25—N5—Cu3129.9 (8)
C18—C17—C16121.2 (18)C36—N5—Cu3112.3 (8)
C17—C18—C19123.2 (18)C34—N6—C35116.7 (11)
C18—C19—C23116.2 (15)C34—N6—Cu3130.4 (9)
C20—C19—C18125.7 (16)C35—N6—Cu3112.9 (8)
C20—C19—C23118.1 (15)C37—N7—C48118.0 (11)
C21—C20—C19119.4 (17)C37—N7—Cu4130.1 (9)
C20—C21—C22120.2 (17)C48—N7—Cu4111.5 (8)
N3—C22—C21122.3 (16)C46—N8—Cu4129.1 (9)
C19—C23—C24121.2 (14)C47—N8—C46116.8 (11)
N3—C23—C19121.5 (13)C47—N8—Cu4113.9 (8)
N3—C23—C24117.2 (13)W2—O4—K298.9 (3)
C16—C24—C23121.4 (13)W2—O4—W3123.5 (4)
N4—C24—C16123.2 (13)W3—O4—K2106.8 (4)
N4—C24—C23115.4 (12)W2—O5—W1123.9 (4)
N5—C25—C26122.0 (12)W3—O6—W1123.5 (4)
C27—C26—C25119.6 (13)W1—O7—W4154.0 (4)
C26—C27—C28118.9 (13)W1—O8—W5149.1 (4)
C27—C28—C29122.9 (13)W6—O9—W2154.5 (5)
C36—C28—C27118.0 (12)W2—O10—K2102.1 (3)
C36—C28—C29119.0 (12)W2—O10—W7153.2 (5)
C30—C29—C28120.2 (14)W7—O10—K2104.3 (4)
C29—C30—C31122.1 (14)W3—O11—K2105.0 (3)
C32—C31—C30125.1 (13)W8—O11—K2103.2 (3)
C35—C31—C30117.4 (12)W8—O11—W3149.8 (5)
C35—C31—C32117.5 (13)W3—O12—W9154.1 (4)
C33—C32—C31118.6 (14)As1—O13—W1121.2 (4)
C32—C33—C34121.1 (14)As1—O13—W2126.3 (4)
N6—C34—C33122.3 (13)As1—O13—W3123.5 (4)
C31—C35—C36120.7 (12)W1—O13—W292.1 (3)
N6—C35—C31123.7 (12)W3—O13—W192.2 (2)
N6—C35—C36115.6 (11)W3—O13—W292.2 (3)
C28—C36—C35120.5 (11)W4—O14—Cu1148.4 (5)
C28—C36—N5123.5 (11)W7—O17—Cu3133.6 (4)
N5—C36—C35115.9 (11)W5—O20—W4156.4 (5)
N7—C37—C38122.4 (13)W6—O21—W5124.1 (4)
C39—C38—C37119.6 (13)W7—O22—W6152.8 (4)
C38—C39—C40120.1 (14)W7—O23—K2101.7 (3)
C39—C40—C41125.2 (13)W8—O23—K2107.1 (3)
C48—C40—C39116.1 (12)W8—O23—W7124.6 (4)
C48—C40—C41118.7 (12)W8—O24—K1ii103.1 (3)
C42—C41—C40121.0 (14)W8—O24—W9155.1 (5)
C41—C42—C43121.8 (14)W9—O24—K1ii99.8 (3)
C44—C43—C42125.4 (13)W9—O25—W4122.0 (4)
C47—C43—C42118.5 (12)As1—O26—W4124.0 (4)
C47—C43—C44116.0 (12)As1—O26—W9123.4 (4)
C45—C44—C43120.1 (13)W9—O26—W493.4 (3)
C44—C45—C46118.5 (13)As1—O27—W5123.2 (4)
N8—C46—C45123.5 (13)As1—O27—W6125.5 (4)
C43—C47—C48119.5 (12)As1—O27—W11122.5 (4)
N8—C47—C43124.8 (11)W5—O27—W691.5 (3)
N8—C47—C48115.6 (11)W5—O27—W1192.8 (3)
C40—C48—C47120.4 (11)W11—O27—W692.2 (3)
N7—C48—C40123.7 (11)As1—O28—W7125.4 (4)
N7—C48—C47115.8 (11)As1—O28—W8122.8 (4)
O48—C49—C50118.0 (13)As1—O28—W10122.2 (4)
O48—C49—O49126.1 (12)W8—O28—W791.7 (3)
O49—C49—C50115.8 (13)W8—O28—W1093.5 (3)
C49—C50—K285.5 (9)W10—O28—W792.4 (3)
O46—C51—C52119.8 (13)W4—O29—Gd1131.3 (4)
O47—C51—C52118.8 (12)W5—O30—W11125.7 (4)
O47—C51—O46121.4 (11)W6—O31—W11126.3 (4)
O41—C53—C54118.0 (12)W7—O32—W10126.4 (4)
O41—C53—O42124.5 (12)W8—O33—K1ii101.3 (3)
O42—C53—C54117.4 (13)W8—O33—W10123.9 (4)
C53—C54—K1i83.4 (8)W10—O33—K1ii100.7 (3)
O43—C55—C56116.1 (19)Gd1—O34—K1ii96.4 (3)
O43—C55—O44126.8 (15)W9—O34—Gd1131.8 (4)
O44—C55—C56117.1 (18)W9—O34—K1ii105.9 (4)
C58—C57—Gd1ii174.3 (10)W10—O35—W11144.4 (4)
O51—C57—C58119.2 (12)Gd1—O36—K1ii95.2 (2)
O51—C57—Gd1ii59.6 (6)W10—O36—Gd1157.1 (5)
O51—C57—O52121.5 (12)W10—O36—K1ii107.7 (4)
O52—C57—C58119.3 (11)W11—O37—Gd1160.5 (5)
O52—C57—Gd1ii62.1 (6)C53—O41—Cu1125.8 (9)
O26—As1—O13111.6 (3)C53—O42—Cu2130.1 (9)
O26—As1—O27111.4 (4)C53—O42—K1i114.6 (8)
O26—As1—O28111.7 (4)Cu2—O42—K1i109.6 (4)
O27—As1—O13108.0 (4)C55—O43—Cu1127.0 (11)
O27—As1—O28107.4 (4)C55—O44—Cu2126.3 (10)
O28—As1—O13106.6 (4)Cu2—O45—K1i101.2 (4)
N1—Cu1—Cu2102.2 (3)C51—O46—Cu3126.0 (9)
N1—Cu1—N282.8 (4)C51—O47—Cu4132.0 (8)
N1—Cu1—O1491.2 (4)C49—O48—Cu3126.5 (9)
N2—Cu1—Cu284.0 (3)C49—O48—K2109.3 (8)
N2—Cu1—O14106.3 (4)Cu3—O48—K2123.7 (4)
O14—Cu1—Cu2164.2 (2)C49—O49—Cu4126.2 (9)
O41—Cu1—Cu279.3 (3)C57—O51—Gd1ii94.7 (8)
O41—Cu1—N192.9 (4)C57—O51—K1124.8 (8)
O41—Cu1—N2161.5 (5)Gd1ii—O51—K1100.3 (3)
O41—Cu1—O1491.7 (4)C57—O52—Gd1ii92.0 (7)
O43—Cu1—Cu277.9 (3)C57—O52—Gd1131.7 (7)
O43—Cu1—N1174.5 (4)Gd1—O52—Gd1ii113.0 (3)
O43—Cu1—N291.7 (4)O1—W1—O5100.1 (3)
O43—Cu1—O1489.6 (4)O1—W1—O699.1 (4)
O43—Cu1—O4192.5 (4)O1—W1—O7104.3 (4)
Cu1—Cu2—K1i117.88 (8)O1—W1—O8103.3 (4)
N3—Cu2—Cu1105.9 (4)O1—W1—O13167.9 (3)
N3—Cu2—K1i136.0 (4)O5—W1—O1371.9 (3)
N3—Cu2—O4590.4 (5)O6—W1—O585.4 (3)
N4—Cu2—Cu187.8 (4)O6—W1—O1371.7 (3)
N4—Cu2—K1i101.9 (3)O7—W1—O5155.5 (3)
N4—Cu2—N382.6 (5)O7—W1—O689.8 (3)
N4—Cu2—O45103.1 (4)O7—W1—O888.1 (3)
O42—Cu2—Cu175.8 (3)O7—W1—O1383.8 (3)
O42—Cu2—K1i42.8 (3)O8—W1—O587.2 (3)
O42—Cu2—N3175.6 (5)O8—W1—O6157.4 (3)
O42—Cu2—N493.5 (4)O8—W1—O1385.6 (3)
O42—Cu2—O4491.5 (4)O2—W2—K282.2 (3)
O42—Cu2—O4588.6 (4)O2—W2—O4101.2 (4)
O44—Cu2—Cu177.6 (3)O2—W2—O5102.6 (4)
O44—Cu2—K1i92.8 (3)O2—W2—O9103.1 (4)
O44—Cu2—N392.8 (5)O2—W2—O10102.5 (4)
O44—Cu2—N4162.9 (5)O2—W2—O13171.4 (3)
O44—Cu2—O4593.4 (4)O4—W2—K251.0 (3)
O45—Cu2—Cu1161.6 (3)O4—W2—O588.7 (3)
O45—Cu2—K1i45.8 (2)O4—W2—O9155.7 (3)
N5—Cu3—Cu497.2 (3)O4—W2—O1372.3 (3)
N5—Cu3—O1787.2 (4)O5—W2—K2139.2 (3)
N6—Cu3—Cu494.5 (3)O5—W2—O986.8 (3)
N6—Cu3—N583.1 (4)O5—W2—O1372.1 (3)
N6—Cu3—O1794.9 (4)O9—W2—K2132.1 (3)
O17—Cu3—Cu4170.0 (2)O9—W2—O1383.6 (3)
O46—Cu3—Cu480.2 (3)O10—W2—K248.3 (3)
O46—Cu3—N5174.8 (4)O10—W2—O489.2 (4)
O46—Cu3—N692.6 (4)O10—W2—O5154.7 (3)
O46—Cu3—O1796.0 (4)O10—W2—O984.8 (3)
O46—Cu3—O4890.5 (4)O10—W2—O1383.3 (3)
O48—Cu3—Cu477.3 (3)O13—W2—K297.4 (2)
O48—Cu3—N593.3 (4)O3—W3—K286.9 (3)
O48—Cu3—N6170.6 (4)O3—W3—O4100.1 (4)
O48—Cu3—O1793.6 (3)O3—W3—O6100.6 (4)
N7—Cu4—Cu388.9 (3)O3—W3—O11102.8 (4)
N7—Cu4—O50106.6 (4)O3—W3—O12104.8 (4)
N8—Cu4—Cu397.6 (3)O3—W3—O13169.5 (3)
N8—Cu4—N781.8 (4)O4—W3—K245.0 (3)
N8—Cu4—O4793.5 (4)O4—W3—O1371.9 (3)
N8—Cu4—O5096.6 (4)O6—W3—K2130.1 (3)
O47—Cu4—Cu375.2 (3)O6—W3—O485.3 (3)
O47—Cu4—N7162.8 (4)O6—W3—O11156.2 (3)
O47—Cu4—O5090.3 (4)O6—W3—O1372.5 (3)
O49—Cu4—Cu377.6 (3)O11—W3—K247.4 (2)
O49—Cu4—N791.2 (4)O11—W3—O486.0 (3)
O49—Cu4—N8171.6 (4)O11—W3—O1383.7 (3)
O49—Cu4—O4791.9 (4)O12—W3—K2134.8 (3)
O49—Cu4—O5089.7 (4)O12—W3—O4155.1 (3)
O50—Cu4—Cu3160.2 (3)O12—W3—O691.1 (4)
C57ii—Gd1—K1ii60.3 (3)O12—W3—O1187.5 (3)
O29—Gd1—C57ii158.5 (3)O12—W3—O1383.5 (3)
O29—Gd1—K1ii126.3 (2)O13—W3—K291.7 (2)
O29—Gd1—O4074.6 (3)O7—W4—O2682.0 (3)
O29—Gd1—O51ii143.1 (3)O14—W4—O796.4 (3)
O29—Gd1—O52ii149.5 (3)O14—W4—O20103.2 (4)
O29—Gd1—O5282.5 (3)O14—W4—O25101.5 (4)
O34—Gd1—C57ii102.4 (3)O14—W4—O26173.0 (3)
O34—Gd1—K1ii47.6 (2)O14—W4—O29102.1 (4)
O34—Gd1—O2979.0 (3)O20—W4—O781.2 (3)
O34—Gd1—O4078.0 (3)O20—W4—O25153.1 (3)
O34—Gd1—O51ii77.5 (3)O20—W4—O2683.3 (3)
O34—Gd1—O52150.8 (3)O25—W4—O785.3 (3)
O34—Gd1—O52ii127.8 (3)O25—W4—O2671.7 (3)
O36—Gd1—C57ii73.8 (3)O29—W4—O7161.3 (3)
O36—Gd1—K1ii49.1 (2)O29—W4—O2092.2 (3)
O36—Gd1—O29127.0 (3)O29—W4—O2593.2 (3)
O36—Gd1—O3479.3 (3)O29—W4—O2679.9 (3)
O36—Gd1—O40144.3 (3)O8—W5—O2184.4 (3)
O36—Gd1—O51ii75.5 (3)O8—W5—O2784.4 (3)
O36—Gd1—O52129.9 (3)O15—W5—O8102.5 (4)
O36—Gd1—O52ii77.5 (3)O15—W5—O20103.4 (4)
O37—Gd1—C57ii111.0 (3)O15—W5—O21100.4 (4)
O37—Gd1—K1ii121.0 (2)O15—W5—O27169.9 (3)
O37—Gd1—O2983.7 (3)O15—W5—O30101.1 (4)
O37—Gd1—O34126.7 (3)O20—W5—O885.8 (3)
O37—Gd1—O3672.0 (3)O20—W5—O21155.7 (4)
O37—Gd1—O40143.5 (3)O20—W5—O2784.3 (3)
O37—Gd1—O51ii133.2 (3)O20—W5—O3092.9 (3)
O37—Gd1—O52ii88.6 (3)O21—W5—O2772.6 (3)
O37—Gd1—O5272.9 (3)O30—W5—O8156.0 (4)
O40—Gd1—C57ii84.6 (3)O30—W5—O2187.2 (3)
O40—Gd1—K1ii95.5 (2)O30—W5—O2771.7 (3)
O40—Gd1—O51ii72.9 (3)O9—W6—O2283.4 (3)
O40—Gd1—O52ii95.4 (3)O9—W6—O2784.1 (3)
O51ii—Gd1—C57ii25.8 (3)O16—W6—O9102.8 (3)
O51ii—Gd1—K1ii42.07 (19)O16—W6—O21100.4 (4)
O51ii—Gd1—O52ii51.7 (3)O16—W6—O22102.6 (4)
O52ii—Gd1—C57ii26.0 (3)O16—W6—O27169.6 (4)
O52—Gd1—C57ii86.9 (3)O16—W6—O31102.1 (3)
O52—Gd1—K1ii146.9 (2)O21—W6—O988.4 (3)
O52ii—Gd1—K1ii82.6 (2)O21—W6—O22156.8 (3)
O52—Gd1—O4075.4 (3)O21—W6—O2771.7 (3)
O52—Gd1—O51ii105.6 (3)O22—W6—O2785.8 (3)
O52—Gd1—O52ii67.0 (3)O31—W6—O9155.0 (3)
C54i—K1—W8ii72.7 (2)O31—W6—O2189.6 (3)
C54i—K1—W9ii119.7 (3)O31—W6—O2288.8 (3)
O24ii—K1—C54i94.5 (3)O31—W6—O2771.6 (3)
O24ii—K1—O33ii53.1 (2)O10—W7—K246.4 (3)
O24ii—K1—O36ii65.3 (2)O10—W7—O2384.5 (3)
O24ii—K1—W8ii28.38 (15)O10—W7—O2882.6 (3)
O24ii—K1—W9ii29.56 (16)O17—W7—K281.3 (3)
O33ii—K1—C54i71.2 (3)O17—W7—O10102.7 (4)
O33ii—K1—W8ii28.58 (15)O17—W7—O22103.7 (4)
O33ii—K1—W9ii79.01 (17)O17—W7—O23100.1 (4)
O34ii—K1—C54i146.0 (3)O17—W7—O28169.1 (4)
O34ii—K1—O24ii53.3 (2)O17—W7—O32103.2 (4)
O34ii—K1—O33ii92.7 (2)O22—W7—K2129.7 (2)
O34ii—K1—O36ii60.1 (2)O22—W7—O1084.6 (3)
O34ii—K1—O57i125.0 (3)O22—W7—O23155.5 (3)
O34ii—K1—W8ii79.16 (17)O22—W7—O2886.2 (3)
O34ii—K1—W9ii26.35 (15)O23—W7—K248.6 (2)
O36ii—K1—C54i120.6 (3)O23—W7—O2870.6 (3)
O36ii—K1—O33ii51.6 (2)O28—W7—K295.9 (2)
O36ii—K1—W8ii64.83 (16)O32—W7—K2136.2 (3)
O36ii—K1—W9ii67.68 (16)O32—W7—O10154.0 (3)
O42i—K1—C54i42.9 (3)O32—W7—O2292.1 (3)
O42i—K1—O24ii80.8 (3)O32—W7—O2388.2 (3)
O42i—K1—O33ii94.9 (3)O32—W7—O2871.5 (3)
O42i—K1—O34ii112.7 (3)K1ii—W8—K2170.45 (12)
O42i—K1—O36ii142.1 (3)O11—W8—K1ii133.2 (2)
O42i—K1—O45i60.6 (3)O11—W8—K248.6 (2)
O42i—K1—O57i70.2 (3)O11—W8—O2387.3 (3)
O42i—K1—W8ii77.35 (19)O11—W8—O2485.3 (3)
O42i—K1—W9ii91.4 (2)O11—W8—O2886.1 (3)
O45i—K1—C54i102.4 (3)O11—W8—O33158.1 (4)
O45i—K1—O24ii83.7 (3)O18—W8—K1ii83.9 (3)
O45i—K1—O33ii134.4 (3)O18—W8—K286.5 (3)
O45i—K1—O34ii67.3 (3)O18—W8—O11102.0 (4)
O45i—K1—O36ii127.4 (3)O18—W8—O23100.9 (4)
O45i—K1—O57i69.0 (3)O18—W8—O24102.4 (4)
O45i—K1—W8ii105.9 (2)O18—W8—O28169.7 (3)
O45i—K1—W9ii65.1 (2)O18—W8—O3399.9 (4)
O51—K1—C54i149.1 (3)O23—W8—K1ii137.7 (2)
O51—K1—O24ii111.8 (3)O23—W8—K245.3 (2)
O51—K1—O33ii111.3 (3)O23—W8—O24156.6 (4)
O51—K1—O34ii64.3 (2)O23—W8—O2872.9 (3)
O51—K1—O36ii61.5 (2)O23—W8—O3388.0 (3)
O51—K1—O42i153.6 (3)O24—W8—K1ii48.5 (2)
O51—K1—O45i96.7 (3)O24—W8—K2133.8 (3)
O51—K1—O6086.4 (3)O24—W8—O2884.4 (3)
O51—K1—O57i89.8 (3)O28—W8—K1ii95.17 (18)
O51—K1—W8ii124.9 (2)O28—W8—K294.3 (2)
O51—K1—W9ii90.3 (2)O33—W8—K1ii50.1 (2)
O60—K1—C54i64.9 (3)O33—W8—K2132.9 (2)
O60—K1—O24ii123.5 (3)O33—W8—O2490.6 (3)
O60—K1—O33ii70.4 (3)O33—W8—O2872.1 (3)
O60—K1—O34ii138.7 (3)O12—W9—K1ii131.8 (2)
O60—K1—O36ii80.8 (3)O12—W9—O2682.7 (3)
O60—K1—O42i106.3 (3)O19—W9—K1ii89.1 (3)
O60—K1—O45i149.3 (3)O19—W9—O1296.6 (3)
O60—K1—O57i80.5 (4)O19—W9—O24102.3 (4)
O60—K1—W8ii97.0 (2)O19—W9—O2599.8 (4)
O60—K1—W9ii145.6 (3)O19—W9—O26172.1 (4)
O57i—K1—C54i74.9 (4)O19—W9—O34101.8 (4)
O57i—K1—O24ii147.2 (3)O24—W9—K1ii50.6 (2)
O57i—K1—O33ii142.2 (3)O24—W9—O1281.5 (3)
O57i—K1—O36ii146.6 (3)O24—W9—O25155.0 (3)
O57i—K1—W8ii145.1 (3)O24—W9—O2685.4 (3)
O57i—K1—W9ii133.8 (3)O25—W9—K1ii141.6 (2)
W9ii—K1—W8ii57.70 (5)O25—W9—O1284.5 (3)
C50—K2—W2151.6 (3)O25—W9—O2672.3 (3)
C50—K2—W3115.7 (3)O26—W9—K1ii97.25 (19)
C50—K2—W796.1 (3)O34—W9—K1ii47.7 (3)
C50—K2—W872.8 (3)O34—W9—O12161.5 (3)
O4—K2—C50143.9 (4)O34—W9—O2492.8 (3)
O4—K2—O1152.6 (2)O34—W9—O2593.9 (3)
O4—K2—O48147.6 (3)O34—W9—O2679.3 (3)
O4—K2—W230.10 (17)O28—W10—K1ii94.20 (18)
O4—K2—W328.24 (17)O32—W10—K1ii132.7 (2)
O4—K2—W780.7 (2)O32—W10—O2869.6 (3)
O4—K2—W877.4 (2)O33—W10—K1ii50.0 (2)
O10—K2—C50124.6 (4)O33—W10—O2870.5 (3)
O10—K2—O454.6 (3)O33—W10—O3282.9 (3)
O10—K2—O1164.0 (3)O35—W10—K1ii140.2 (2)
O10—K2—O2353.3 (3)O35—W10—O2884.4 (3)
O10—K2—O4895.1 (3)O35—W10—O3284.0 (3)
O10—K2—W229.57 (18)O35—W10—O33154.5 (3)
O10—K2—W365.1 (2)O36—W10—K1ii47.0 (3)
O10—K2—W729.22 (18)O36—W10—O2887.5 (3)
O10—K2—W864.3 (2)O36—W10—O32157.1 (3)
O11—K2—C5092.9 (3)O36—W10—O3390.4 (3)
O11—K2—O48107.1 (3)O36—W10—O3593.3 (4)
O11—K2—W266.3 (2)O38—W10—K1ii88.7 (3)
O11—K2—W327.66 (16)O38—W10—O28166.1 (3)
O11—K2—W766.90 (19)O38—W10—O3298.5 (3)
O11—K2—W828.15 (16)O38—W10—O33101.6 (4)
O23—K2—C5072.4 (3)O38—W10—O35101.9 (4)
O23—K2—O490.1 (3)O38—W10—O36104.3 (4)
O23—K2—O1152.4 (2)O30—W11—O2769.7 (3)
O23—K2—O4859.5 (3)O30—W11—O3183.1 (3)
O23—K2—W279.5 (2)O31—W11—O2769.9 (3)
O23—K2—W376.8 (2)O35—W11—O2784.6 (3)
O23—K2—W729.74 (17)O35—W11—O30154.1 (3)
O23—K2—W827.60 (16)O35—W11—O3185.4 (3)
O48—K2—C5041.9 (3)O37—W11—O2787.3 (3)
O48—K2—W2123.6 (3)O37—W11—O3090.9 (4)
O48—K2—W3134.4 (3)O37—W11—O31157.1 (3)
O48—K2—W767.3 (2)O37—W11—O3590.8 (4)
O48—K2—W879.0 (2)O39—W11—O27166.2 (3)
O56—K2—C50114.3 (6)O39—W11—O30101.9 (4)
O56—K2—O4100.0 (6)O39—W11—O3198.8 (3)
O56—K2—O1073.0 (5)O39—W11—O35102.8 (4)
O56—K2—O11136.9 (6)O39—W11—O37104.0 (4)
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) x+1/2, y+3/2, z+1/2.
(fhsp22a) top
Crystal data top
K2{[Cu2(H2O)(C12H8N2)2(C2H3O2)2]4[Tb2(H2O)2(C2H3O2)2 (AsW11O39)2]}·22H2OF(000) = 16008
Mr = 8824.95Dx = 2.996 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.4415 (7) ÅCell parameters from 27392 reflections
b = 14.0792 (3) Åθ = 3.1–28.5°
c = 48.0609 (14) ŵ = 14.92 mm1
β = 108.235 (3)°T = 133 K
V = 19564.1 (9) Å3Block, blue
Z = 40.09 × 0.07 × 0.01 mm
Data collection top
Agulent Xcalibur Sapphire3
diffractometer
18532 independent reflections
Radiation source: Enhance (Mo) X-ray Source14576 reflections with I > 2σ(I)
Detector resolution: 15.9853 pixels mm-1Rint = 0.097
ω scansθmax = 25.7°, θmin = 2.8°
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
h = 3737
Tmin = 0.336, Tmax = 1.000k = 1717
130000 measured reflectionsl = 5858
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.046 w = 1/[σ2(Fo2) + (0.0224P)2 + 707.2657P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.098(Δ/σ)max = 0.001
S = 1.06Δρmax = 3.37 e Å3
18532 reflectionsΔρmin = 1.28 e Å3
683 parametersExtinction correction: SHELXL2017 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0000070 (6)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.1011 (4)1.1969 (9)0.1273 (3)0.016 (3)*
H10.1239511.2051430.1184290.020*
C20.1133 (5)1.2033 (9)0.1579 (3)0.022 (3)*
H20.1436241.2167810.1689360.027*
C30.0812 (5)1.1898 (9)0.1710 (3)0.026 (3)*
H30.0889521.1934870.1913170.031*
C40.0356 (5)1.1702 (10)0.1539 (3)0.026 (3)*
C50.0027 (5)1.1580 (10)0.1665 (4)0.034 (4)*
H50.0031331.1615540.1866870.041*
C60.0458 (5)1.1418 (11)0.1487 (3)0.035 (4)*
H60.0695271.1325400.1567140.042*
C70.0561 (5)1.1384 (10)0.1172 (3)0.027 (3)*
C80.1010 (5)1.1261 (11)0.0974 (4)0.036 (4)*
H80.1264501.1207040.1040860.043*
C90.1063 (5)1.1221 (10)0.0682 (3)0.032 (4)*
H90.1353611.1113250.0547340.039*
C100.0685 (4)1.1342 (9)0.0587 (3)0.022 (3)*
H100.0730871.1327420.0386920.026*
C110.0199 (4)1.1506 (9)0.1057 (3)0.021 (3)*
C120.0261 (4)1.1663 (9)0.1240 (3)0.019 (3)*
C130.0859 (4)1.3656 (9)0.0243 (3)0.023 (3)*
H130.0805731.3626860.0062490.027*
C140.1315 (5)1.3613 (10)0.0245 (3)0.027 (3)*
H140.1559881.3579010.0071160.033*
C150.1392 (5)1.3623 (10)0.0506 (3)0.030 (3)*
H150.1693721.3576510.0511980.035*
C160.1027 (4)1.3702 (9)0.0767 (3)0.021 (3)*
C170.1063 (5)1.3735 (10)0.1061 (3)0.029 (3)*
H170.1350931.3684660.1088080.035*
C180.0690 (5)1.3837 (10)0.1288 (3)0.032 (4)*
H180.0723711.3840150.1473760.038*
C190.0236 (5)1.3943 (9)0.1265 (3)0.023 (3)*
C200.0170 (5)1.4065 (10)0.1501 (3)0.032 (4)*
H200.0162571.4062660.1692560.038*
C210.0575 (5)1.4186 (10)0.1442 (3)0.029 (3)*
H210.0843801.4310510.1595600.035*
C220.0596 (5)1.4129 (9)0.1166 (3)0.022 (3)*
H220.0880721.4198910.1134740.026*
C230.0189 (4)1.3891 (9)0.0989 (3)0.018 (3)*
C240.0587 (4)1.3758 (9)0.0736 (3)0.019 (3)*
C250.0015 (4)1.2183 (9)0.0075 (3)0.018 (3)*
C260.0068 (5)1.1917 (10)0.0232 (3)0.030 (3)*
H26A0.0389781.1999020.0338580.045*
H26B0.0016601.1263880.0242140.045*
H26C0.0114651.2312380.0315300.045*
C270.1061 (5)1.2814 (10)0.0623 (3)0.024 (3)*
C280.1575 (5)1.2936 (11)0.0664 (4)0.040 (4)*
H28A0.1721931.2324670.0688920.060*
H28B0.1713871.3317150.0835120.060*
H28C0.1613951.3244200.0495430.060*
C290.2868 (4)0.3872 (9)0.1078 (3)0.021 (3)*
H290.2653460.3932490.1178750.026*
C300.2708 (5)0.3752 (10)0.0780 (3)0.029 (3)*
H300.2392320.3733000.0681430.035*
C310.3018 (5)0.3662 (10)0.0632 (4)0.032 (4)*
H310.2912920.3585100.0429190.039*
C320.3492 (5)0.3682 (10)0.0777 (3)0.030 (3)*
C330.3844 (5)0.3579 (11)0.0644 (4)0.040 (4)*
H330.3765930.3496680.0442830.048*
C340.4300 (5)0.3599 (11)0.0813 (3)0.034 (4)*
H340.4526360.3552120.0721280.041*
C350.4437 (5)0.3687 (10)0.1122 (3)0.024 (3)*
C360.4887 (5)0.3640 (10)0.1304 (3)0.030 (4)*
H360.5124010.3519780.1225050.036*
C370.4988 (5)0.3765 (10)0.1592 (3)0.031 (4)*
H370.5292980.3741630.1713410.037*
C380.4628 (5)0.3933 (10)0.1712 (3)0.026 (3)*
H380.4697720.4035880.1912030.031*
C390.4093 (5)0.3805 (9)0.1250 (3)0.023 (3)*
C400.3618 (5)0.3818 (9)0.1078 (3)0.023 (3)*
C410.3328 (5)0.1610 (10)0.1239 (3)0.028 (3)*
H410.3046370.1726890.1270540.033*
C420.3323 (6)0.1362 (11)0.0972 (4)0.042 (4)*
H420.3043760.1316800.0821420.051*
C430.3736 (5)0.1171 (11)0.0915 (4)0.038 (4)*
H430.3734280.1010080.0726950.045*
C440.4141 (5)0.1221 (10)0.1138 (3)0.032 (4)*
C450.4594 (6)0.1060 (12)0.1110 (4)0.047 (5)*
H450.4626000.0935630.0927030.057*
C460.4981 (6)0.1091 (12)0.1358 (4)0.048 (5)*
H460.5265820.0924410.1339550.058*
C470.4962 (5)0.1355 (11)0.1626 (4)0.037 (4)*
C480.5340 (6)0.1428 (12)0.1882 (4)0.048 (5)*
H480.5634060.1280450.1875150.058*
C490.5288 (6)0.1703 (12)0.2136 (4)0.046 (4)*
H490.5544310.1744260.2303270.055*
C500.4848 (5)0.1928 (11)0.2151 (4)0.040 (4)*
H500.4813280.2129330.2326830.048*
C510.4520 (5)0.1552 (11)0.1654 (3)0.032 (4)*
C520.4122 (5)0.1483 (11)0.1414 (3)0.032 (4)*
C530.4045 (6)0.3735 (13)0.2273 (4)0.046 (4)*
C540.4264 (9)0.4090 (19)0.2574 (6)0.110 (9)*
H54A0.4034410.4156330.2671590.165*
H54B0.4404800.4696060.2566820.165*
H54C0.4496890.3648300.2680560.165*
C550.2918 (5)0.3000 (10)0.1789 (3)0.023 (3)*
C560.2436 (5)0.2912 (10)0.1819 (3)0.031 (4)*
H56A0.2185490.2924420.1635050.037*
H56B0.2376360.3329060.1963660.037*
C570.2404 (4)0.5859 (9)0.2405 (3)0.016 (3)*
C580.2491 (5)0.5124 (10)0.2199 (3)0.026 (3)*
H58A0.2467270.5416920.2014270.039*
H58B0.2264920.4626070.2168860.039*
H58C0.2794720.4861330.2281910.039*
As10.20425 (4)0.79604 (8)0.12521 (3)0.0094 (3)
Cu10.03261 (5)1.16373 (11)0.06744 (3)0.0175 (3)
Cu20.01663 (5)1.36935 (11)0.05201 (4)0.0183 (4)
Cu30.36120 (5)0.41092 (11)0.16541 (4)0.0216 (4)
Cu40.38077 (6)0.20964 (12)0.18759 (4)0.0260 (4)
K10.1483 (2)1.0669 (5)0.03779 (15)0.0132 (14)*0.4
K20.28090 (14)1.0708 (3)0.20675 (9)0.0104 (9)*0.6
N10.0585 (4)1.1798 (7)0.1108 (2)0.019 (2)*
N20.0265 (4)1.1475 (7)0.0764 (2)0.020 (2)*
N30.0502 (3)1.3733 (7)0.0478 (2)0.016 (2)*
N40.0228 (4)1.3978 (7)0.0939 (2)0.019 (2)*
N50.3306 (4)0.3905 (8)0.1228 (2)0.023 (3)*
N60.4183 (4)0.3948 (8)0.1540 (3)0.024 (3)*
N70.3715 (4)0.1699 (8)0.1465 (3)0.023 (3)*
N80.4476 (4)0.1856 (8)0.1911 (3)0.027 (3)*
O10.0541 (3)1.0062 (6)0.07555 (18)0.0144 (19)*
O20.2263 (3)1.1622 (6)0.1213 (2)0.021 (2)*
O30.1405 (3)1.0007 (6)0.19563 (19)0.021 (2)*
O40.1062 (3)0.9745 (6)0.13333 (18)0.0157 (19)*
O50.1892 (3)1.0517 (6)0.15583 (18)0.0148 (19)*
O60.1482 (3)1.0499 (6)0.09849 (19)0.0171 (19)*
O70.1328 (3)0.8233 (6)0.16639 (18)0.0157 (19)*
O80.0850 (3)0.8234 (6)0.09823 (18)0.0144 (19)*
O90.1272 (3)0.8993 (6)0.06549 (19)0.0163 (19)*
O100.2255 (3)0.9908 (6)0.09053 (19)0.0166 (19)*
O110.2672 (3)0.9893 (6)0.14617 (18)0.0138 (18)*
O120.2152 (3)0.9022 (6)0.19071 (19)0.020 (2)*
O130.1785 (3)0.8999 (5)0.12760 (18)0.0125 (18)*
O140.3645 (3)0.9585 (6)0.16059 (19)0.020 (2)*
O150.2862 (3)0.9604 (6)0.05745 (19)0.020 (2)*
O160.1112 (3)0.8076 (6)0.0120 (2)0.022 (2)*
O170.0363 (3)0.6518 (6)0.07640 (18)0.0160 (19)*
O180.1190 (3)0.6537 (6)0.19604 (19)0.018 (2)*
O190.2966 (3)0.8820 (6)0.11212 (18)0.0137 (18)*
O200.1974 (3)0.8814 (6)0.04414 (19)0.0169 (19)*
O210.1173 (3)0.7193 (6)0.06560 (18)0.0130 (18)*
O220.0907 (3)0.6777 (6)0.13416 (18)0.0141 (19)*
O230.2034 (3)0.7111 (6)0.19116 (19)0.0169 (19)*
O240.3140 (3)0.8842 (6)0.19282 (18)0.0143 (18)*
O250.2550 (3)0.7866 (5)0.15098 (18)0.0124 (18)*
O260.1683 (3)0.7098 (5)0.12809 (18)0.0122 (18)*
O270.2099 (3)0.7907 (6)0.09179 (18)0.0161 (19)*
O280.1875 (3)0.4286 (6)0.12476 (19)0.019 (2)*
O290.2630 (3)0.5746 (6)0.05772 (19)0.019 (2)*
O300.3443 (3)0.5668 (6)0.16076 (19)0.0168 (19)*
O310.1617 (3)0.5666 (6)0.15712 (18)0.0154 (19)*
O320.1221 (3)0.5704 (6)0.09993 (19)0.019 (2)*
O330.1857 (3)0.6943 (6)0.04444 (18)0.0144 (18)*
O340.2689 (3)0.7701 (6)0.06446 (19)0.0168 (19)*
O350.3396 (3)0.7663 (6)0.15614 (19)0.0165 (19)*
O360.3047 (3)0.6734 (6)0.19341 (18)0.0136 (18)*
O370.2456 (3)0.5840 (6)0.14774 (19)0.0161 (19)*
O380.2033 (3)0.5837 (6)0.09203 (19)0.0157 (19)*
O390.2837 (3)0.6631 (6)0.11250 (18)0.0133 (18)*
O400.3488 (3)0.7699 (6)0.2483 (2)0.026 (2)*
O410.2646 (3)0.6610 (6)0.24600 (18)0.0148 (19)*
O420.2119 (3)0.5697 (6)0.25360 (19)0.020 (2)*
O430.0029 (3)1.1521 (6)0.0258 (2)0.026 (2)*
O440.0061 (3)1.3043 (6)0.0144 (2)0.023 (2)*
O450.0899 (3)1.2006 (6)0.0610 (2)0.022 (2)*
O460.0835 (3)1.3573 (6)0.0618 (2)0.024 (2)*
O470.0194 (3)1.5071 (7)0.0307 (2)0.039 (3)*
O480.3970 (3)0.4315 (7)0.2062 (2)0.033 (2)*
O490.3969 (3)0.2835 (7)0.2237 (2)0.037 (3)*
O500.3052 (3)0.3823 (7)0.1747 (2)0.028 (2)*
O510.3146 (3)0.2259 (7)0.1811 (2)0.027 (2)*
O520.3778 (3)0.0748 (7)0.2106 (2)0.034 (3)*
O530.2037 (4)1.1463 (8)0.2248 (3)0.054 (3)*
O540.4133 (5)0.7668 (10)0.2126 (3)0.073 (4)*
O550.4564 (4)0.5975 (8)0.2100 (3)0.055 (3)*
O560.1765 (5)0.4084 (9)0.0084 (3)0.069 (4)*
O570.1216 (3)1.4834 (7)0.0373 (2)0.037 (3)*
O580.2500000.5067 (11)0.0000000.041 (4)*
O590.2500001.2846 (13)0.0000000.068 (5)*
Tb10.27073 (2)0.79058 (4)0.21489 (2)0.01308 (13)
W10.10373 (2)0.94926 (4)0.09563 (2)0.01344 (12)
W20.21120 (2)1.04637 (4)0.12292 (2)0.01265 (11)
W30.16052 (2)0.94518 (4)0.17008 (2)0.01318 (12)
W40.31518 (2)0.89325 (3)0.15631 (2)0.01164 (11)
W50.25636 (2)0.89585 (4)0.07507 (2)0.01283 (12)
W60.14835 (2)0.80083 (4)0.04650 (2)0.01304 (12)
W70.09091 (2)0.68701 (4)0.09572 (2)0.01274 (12)
W80.14503 (2)0.68856 (4)0.17040 (2)0.01271 (12)
W90.18512 (2)0.54845 (4)0.12555 (2)0.01248 (11)
W100.24163 (2)0.65719 (4)0.07579 (2)0.01307 (12)
W110.30329 (2)0.65419 (4)0.15689 (2)0.01199 (11)
O1AA0.1654 (5)1.3000 (9)0.2458 (3)0.067 (4)*
O0AA0.3655 (6)0.5829 (11)0.2506 (4)0.096 (5)*
O2AA0.0602 (8)1.0126 (16)0.0061 (5)0.159 (9)*
O3AA0.5447 (6)0.5367 (12)0.2380 (4)0.101 (5)*
O4AA0.1169 (5)1.4507 (11)0.2154 (4)0.088 (5)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
As10.0084 (6)0.0111 (6)0.0093 (6)0.0008 (5)0.0038 (5)0.0006 (5)
Cu10.0200 (8)0.0168 (9)0.0136 (9)0.0014 (7)0.0020 (7)0.0030 (7)
Cu20.0189 (8)0.0182 (9)0.0170 (9)0.0007 (7)0.0046 (7)0.0031 (7)
Cu30.0207 (9)0.0214 (9)0.0251 (10)0.0030 (7)0.0105 (8)0.0016 (7)
Cu40.0192 (9)0.0243 (10)0.0333 (11)0.0026 (7)0.0066 (8)0.0029 (8)
Tb10.0145 (3)0.0145 (3)0.0100 (3)0.0011 (2)0.0035 (2)0.0003 (2)
W10.0119 (2)0.0154 (3)0.0122 (3)0.0028 (2)0.0026 (2)0.0026 (2)
W20.0132 (2)0.0125 (3)0.0114 (3)0.0006 (2)0.0025 (2)0.0006 (2)
W30.0123 (2)0.0171 (3)0.0097 (3)0.0033 (2)0.0028 (2)0.0003 (2)
W40.0111 (2)0.0126 (3)0.0111 (3)0.0009 (2)0.0034 (2)0.0000 (2)
W50.0138 (3)0.0151 (3)0.0105 (3)0.0023 (2)0.0051 (2)0.0001 (2)
W60.0139 (2)0.0169 (3)0.0079 (3)0.0004 (2)0.0029 (2)0.0006 (2)
W70.0098 (2)0.0157 (3)0.0125 (3)0.0016 (2)0.0032 (2)0.0002 (2)
W80.0119 (2)0.0170 (3)0.0091 (3)0.0007 (2)0.0031 (2)0.0008 (2)
W90.0117 (2)0.0128 (3)0.0126 (3)0.0007 (2)0.0032 (2)0.0008 (2)
W100.0132 (2)0.0164 (3)0.0105 (3)0.0006 (2)0.0049 (2)0.0026 (2)
W110.0114 (2)0.0137 (3)0.0112 (3)0.0024 (2)0.0039 (2)0.0001 (2)
Geometric parameters (Å, º) top
C1—C21.400 (18)Cu3—O501.935 (9)
C1—N11.313 (15)Cu4—K2i3.958 (4)
C2—C31.333 (17)Cu4—N71.983 (11)
C3—C41.403 (19)Cu4—N82.017 (11)
C4—C51.482 (19)Cu4—O491.951 (11)
C4—C121.376 (18)Cu4—O511.954 (9)
C5—C61.34 (2)Cu4—O522.214 (10)
C6—C71.44 (2)K1—O62.928 (11)
C7—C81.41 (2)K1—O92.879 (10)
C7—C111.390 (18)K1—O103.061 (11)
C8—C91.36 (2)K1—O202.977 (10)
C9—C101.372 (18)K1—O453.030 (11)
C10—N21.309 (16)K1—W13.830 (6)
C11—C121.417 (18)K1—W23.948 (7)
C11—N21.362 (17)K1—W54.018 (6)
C12—N11.342 (15)K1—W63.769 (6)
C13—C141.394 (18)K1—O2AA2.74 (2)
C13—N31.307 (16)K2—O53.094 (9)
C14—C151.344 (19)K2—O113.034 (9)
C15—C161.398 (19)K2—O123.044 (9)
C16—C171.448 (19)K2—O242.964 (9)
C16—C241.396 (17)K2—O42ii2.708 (10)
C17—C181.31 (2)K2—O51iii2.851 (10)
C18—C191.428 (18)K2—O52iii2.897 (10)
C19—C201.402 (19)K2—O532.948 (12)
C19—C231.382 (18)K2—W23.937 (4)
C20—C211.358 (18)K2—W43.846 (4)
C21—C221.353 (19)K2—O1AAiv2.975 (14)
C22—N41.312 (16)O1—W11.716 (8)
C23—C241.433 (18)O2—W21.702 (8)
C23—N41.367 (15)O3—W31.721 (8)
C24—N31.343 (16)O4—W11.825 (8)
C25—C261.465 (18)O4—W32.049 (8)
C25—O431.272 (15)O5—W21.901 (8)
C25—O441.252 (14)O5—W31.964 (8)
C27—C281.526 (19)O6—W11.935 (8)
C27—O451.232 (15)O6—W21.910 (8)
C27—O461.267 (15)O7—W31.895 (8)
C28—K13.453 (17)O7—W81.932 (8)
C29—C301.373 (19)O8—W11.878 (8)
C29—N51.301 (16)O8—W71.936 (8)
C30—C311.356 (19)O9—W11.936 (8)
C31—C321.393 (19)O9—W61.881 (8)
C32—C331.414 (19)O10—W21.910 (8)
C32—C401.391 (19)O10—W51.913 (8)
C33—C341.37 (2)O11—W21.900 (8)
C34—C351.41 (2)O11—W41.937 (8)
C35—C361.377 (19)O12—Tb12.334 (9)
C35—C391.383 (17)O12—W31.757 (9)
C36—C371.33 (2)O13—W12.417 (8)
C37—C381.407 (18)O13—W22.331 (8)
C38—N61.346 (17)O13—W32.362 (8)
C39—C401.425 (18)O14—W41.717 (8)
C39—N61.349 (17)O15—W51.688 (8)
C40—N51.364 (16)O16—W61.693 (9)
C41—C421.33 (2)O17—W71.706 (8)
C41—N71.337 (17)O18—W81.732 (8)
C42—C431.39 (2)O19—W42.026 (8)
C43—C441.36 (2)O19—W51.828 (8)
C44—C451.44 (2)O20—W51.950 (8)
C44—C521.40 (2)O20—W61.907 (8)
C45—C461.39 (2)O21—W61.897 (8)
C46—C471.36 (2)O21—W71.917 (8)
C47—C481.40 (2)O22—W71.854 (8)
C47—C511.42 (2)O22—W81.997 (8)
C48—C491.34 (2)O23—Tb12.299 (8)
C49—C501.40 (2)O23—W81.774 (8)
C50—N81.342 (19)O24—Tb12.339 (8)
C51—C521.39 (2)O24—W41.771 (8)
C51—N81.354 (18)O25—W42.319 (8)
C52—N71.373 (17)O25—W112.335 (8)
C53—C541.48 (3)O26—W72.403 (8)
C53—O481.266 (19)O26—W82.372 (8)
C53—O491.289 (19)O26—W92.341 (8)
C55—C561.522 (18)O27—W52.355 (8)
C55—O501.266 (15)O27—W62.391 (8)
C55—O511.239 (15)O27—W102.349 (8)
C56—K2i3.391 (15)O28—W91.689 (8)
C57—C581.513 (17)O29—W101.698 (8)
C57—O411.269 (14)O30—W111.721 (8)
C57—O421.241 (14)O31—W81.953 (8)
C57—Tb1ii2.861 (12)O31—W91.885 (8)
As1—O131.679 (8)O32—W71.876 (8)
As1—O251.657 (8)O32—W91.952 (9)
As1—O261.669 (8)O33—W61.904 (8)
As1—O271.670 (8)O33—W101.958 (8)
Cu1—Cu22.990 (2)O34—W51.914 (8)
Cu1—N11.998 (11)O34—W101.948 (8)
Cu1—N21.989 (10)O35—W41.938 (8)
Cu1—O12.311 (8)O35—W111.934 (8)
Cu1—O431.928 (10)O36—Tb12.350 (8)
Cu1—O451.936 (9)O36—W111.763 (8)
Cu2—N31.981 (10)O37—W91.884 (8)
Cu2—N42.004 (11)O37—W111.942 (8)
Cu2—O441.960 (9)O38—W91.925 (8)
Cu2—O461.947 (9)O38—W101.901 (8)
Cu2—O472.207 (10)O39—W101.829 (8)
Cu3—Cu43.021 (2)O39—W112.031 (8)
Cu3—N51.989 (12)O40—Tb12.433 (9)
Cu3—N61.992 (11)O41—Tb12.403 (8)
Cu3—O302.250 (8)O41—Tb1ii2.534 (8)
Cu3—O481.945 (11)O42—Tb1ii2.437 (9)
N1—C1—C2122.1 (12)W1—O8—W7153.6 (4)
C3—C2—C1119.7 (13)W1—O9—K1103.6 (3)
C2—C3—C4119.1 (14)W6—O9—K1102.7 (3)
C3—C4—C5122.8 (13)W6—O9—W1153.3 (5)
C12—C4—C3117.9 (12)W2—O10—K1102.7 (3)
C12—C4—C5119.2 (13)W2—O10—W5150.2 (5)
C6—C5—C4119.5 (15)W5—O10—K1105.4 (4)
C5—C6—C7121.6 (14)W2—O11—K2103.5 (3)
C8—C7—C6124.0 (13)W2—O11—W4155.6 (5)
C11—C7—C6118.2 (13)W4—O11—K299.0 (3)
C11—C7—C8117.9 (14)Tb1—O12—K294.7 (3)
C9—C8—C7118.6 (14)W3—O12—K2107.8 (4)
C8—C9—C10119.6 (15)W3—O12—Tb1157.5 (5)
N2—C10—C9123.7 (14)As1—O13—W1125.0 (4)
C7—C11—C12121.7 (13)As1—O13—W2122.8 (4)
N2—C11—C7122.0 (12)As1—O13—W3122.3 (4)
N2—C11—C12116.3 (11)W2—O13—W191.7 (3)
C4—C12—C11119.8 (12)W2—O13—W393.8 (3)
N1—C12—C4122.7 (12)W3—O13—W192.5 (3)
N1—C12—C11117.4 (12)W5—O19—W4153.5 (4)
N3—C13—C14123.9 (13)W5—O20—K1107.4 (4)
C15—C14—C13118.1 (14)W6—O20—K198.6 (3)
C14—C15—C16121.2 (14)W6—O20—W5124.6 (4)
C15—C16—C17126.7 (12)W6—O21—W7154.0 (5)
C24—C16—C15115.4 (12)W7—O22—W8127.1 (4)
C24—C16—C17118.0 (13)W8—O23—Tb1161.2 (5)
C18—C17—C16120.3 (14)Tb1—O24—K296.7 (3)
C17—C18—C19123.5 (15)W4—O24—K2105.9 (3)
C20—C19—C18125.5 (13)W4—O24—Tb1132.7 (4)
C23—C19—C18117.6 (13)As1—O25—W4123.4 (4)
C23—C19—C20116.9 (12)As1—O25—W11124.0 (4)
C21—C20—C19118.5 (14)W4—O25—W1193.4 (3)
C22—C21—C20121.3 (15)As1—O26—W7125.4 (4)
N4—C22—C21122.3 (13)As1—O26—W8122.8 (4)
C19—C23—C24120.4 (11)As1—O26—W9122.8 (4)
N4—C23—C19122.9 (12)W8—O26—W792.5 (3)
N4—C23—C24116.7 (11)W9—O26—W791.3 (3)
C16—C24—C23120.2 (12)W9—O26—W892.9 (3)
N3—C24—C16124.4 (12)As1—O27—W5123.6 (4)
N3—C24—C23115.3 (11)As1—O27—W6125.8 (4)
O43—C25—C26117.7 (12)As1—O27—W10121.8 (4)
O44—C25—C26119.0 (12)W5—O27—W692.0 (3)
O44—C25—O43123.3 (12)W10—O27—W592.3 (3)
O45—C27—C28119.2 (12)W10—O27—W692.0 (3)
O45—C27—O46124.9 (12)W11—O30—Cu3147.5 (4)
O46—C27—C28115.8 (12)W9—O31—W8125.8 (4)
C27—C28—K183.7 (8)W7—O32—W9124.8 (5)
N5—C29—C30123.2 (13)W6—O33—W10124.0 (4)
C31—C30—C29118.9 (14)W5—O34—W10122.8 (4)
C30—C31—C32121.1 (15)W11—O35—W4122.0 (4)
C31—C32—C33125.7 (15)W11—O36—Tb1131.9 (4)
C40—C32—C31115.4 (13)W9—O37—W11156.6 (5)
C40—C32—C33118.9 (14)W10—O38—W9149.1 (5)
C34—C33—C32120.1 (16)W10—O39—W11153.8 (4)
C33—C34—C35122.3 (14)C57—O41—Tb1131.0 (8)
C36—C35—C34124.9 (13)C57—O41—Tb1ii91.4 (7)
C36—C35—C39117.5 (13)Tb1—O41—Tb1ii113.0 (3)
C39—C35—C34117.5 (13)C57—O42—K2ii125.1 (8)
C37—C36—C35121.0 (14)C57—O42—Tb1ii96.7 (7)
C36—C37—C38119.4 (14)Tb1ii—O42—K2ii101.4 (3)
N6—C38—C37121.0 (14)C25—O43—Cu1123.9 (9)
C35—C39—C40121.1 (13)C25—O44—Cu2132.0 (9)
N6—C39—C35122.9 (13)C27—O45—Cu1127.2 (9)
N6—C39—C40116.0 (12)C27—O45—K1108.8 (8)
C32—C40—C39120.0 (12)Cu1—O45—K1123.6 (4)
N5—C40—C32123.5 (12)C27—O46—Cu2126.7 (9)
N5—C40—C39116.4 (12)C53—O48—Cu3127.9 (11)
C42—C41—N7123.5 (14)C53—O49—Cu4128.9 (11)
C41—C42—C43120.2 (16)C55—O50—Cu3125.5 (9)
C44—C43—C42119.3 (16)C55—O51—Cu4129.4 (9)
C43—C44—C45125.2 (15)C55—O51—K2i114.5 (8)
C43—C44—C52117.7 (14)Cu4—O51—K2i109.5 (4)
C52—C44—C45117.1 (15)Cu4—O52—K2i100.7 (4)
C46—C45—C44119.5 (17)C57ii—Tb1—K260.2 (3)
C47—C46—C45123.1 (17)O12—Tb1—C57ii74.1 (3)
C46—C47—C48125.8 (16)O12—Tb1—K249.6 (2)
C46—C47—C51117.6 (16)O12—Tb1—O2479.5 (3)
C48—C47—C51116.5 (15)O12—Tb1—O36127.1 (3)
C49—C48—C47121.6 (17)O12—Tb1—O40144.6 (3)
C48—C49—C50120.0 (18)O12—Tb1—O41129.5 (3)
N8—C50—C49120.3 (16)O12—Tb1—O41ii77.2 (3)
C52—C51—C47120.9 (14)O12—Tb1—O42ii75.4 (3)
N8—C51—C47120.9 (14)O23—Tb1—C57ii111.8 (3)
N8—C51—C52118.2 (13)O23—Tb1—K2121.2 (2)
C51—C52—C44121.6 (14)O23—Tb1—O1271.7 (3)
N7—C52—C44122.7 (14)O23—Tb1—O24126.2 (3)
N7—C52—C51115.7 (14)O23—Tb1—O3683.5 (3)
O48—C53—C54118.6 (18)O23—Tb1—O40143.5 (3)
O48—C53—O49123.1 (17)O23—Tb1—O41ii88.8 (3)
O49—C53—C54118.1 (18)O23—Tb1—O4173.1 (3)
O50—C55—C56117.3 (12)O23—Tb1—O42ii133.4 (3)
O51—C55—C56117.0 (12)O24—Tb1—C57ii102.3 (3)
O51—C55—O50125.7 (12)O24—Tb1—K247.6 (2)
C55—C56—K2i83.2 (8)O24—Tb1—O3679.0 (3)
C58—C57—Tb1ii173.1 (9)O24—Tb1—O4078.1 (3)
O41—C57—C58119.8 (11)O24—Tb1—O41151.0 (3)
O41—C57—Tb1ii62.3 (6)O24—Tb1—O41ii127.9 (3)
O42—C57—C58120.0 (11)O24—Tb1—O42ii77.5 (3)
O42—C57—O41120.0 (11)O36—Tb1—C57ii158.0 (3)
O42—C57—Tb1ii57.8 (6)O36—Tb1—K2126.4 (2)
O25—As1—O13111.4 (4)O36—Tb1—O4074.5 (3)
O25—As1—O26111.3 (4)O36—Tb1—O41ii149.5 (3)
O25—As1—O27111.2 (4)O36—Tb1—O4182.6 (3)
O26—As1—O13107.2 (4)O36—Tb1—O42ii143.1 (3)
O26—As1—O27108.3 (4)O40—Tb1—C57ii84.2 (3)
O27—As1—O13107.2 (4)O40—Tb1—K295.4 (2)
N1—Cu1—Cu297.4 (3)O40—Tb1—O41ii95.6 (3)
N1—Cu1—O186.2 (4)O40—Tb1—O42ii73.1 (3)
N2—Cu1—Cu294.4 (3)O41ii—Tb1—C57ii26.3 (3)
N2—Cu1—N182.9 (4)O41—Tb1—C57ii86.9 (3)
N2—Cu1—O194.6 (4)O41—Tb1—K2146.7 (2)
O1—Cu1—Cu2170.6 (2)O41ii—Tb1—K282.55 (19)
O43—Cu1—Cu280.7 (3)O41—Tb1—O4075.4 (3)
O43—Cu1—N1175.3 (4)O41—Tb1—O41ii67.0 (3)
O43—Cu1—N293.0 (4)O41—Tb1—O42ii105.7 (3)
O43—Cu1—O196.3 (3)O42ii—Tb1—C57ii25.5 (3)
O43—Cu1—O4590.6 (4)O42ii—Tb1—K241.7 (2)
O45—Cu1—Cu277.6 (3)O42ii—Tb1—O41ii51.8 (3)
O45—Cu1—N193.2 (4)O1—W1—K180.7 (3)
O45—Cu1—N2170.6 (4)O1—W1—O4102.9 (4)
O45—Cu1—O193.6 (3)O1—W1—O699.9 (4)
N3—Cu2—Cu197.7 (3)O1—W1—O8104.2 (4)
N3—Cu2—N482.3 (4)O1—W1—O9102.4 (4)
N3—Cu2—O4796.6 (4)O1—W1—O13168.7 (3)
N4—Cu2—Cu189.3 (3)O4—W1—K1136.3 (3)
N4—Cu2—O47106.6 (4)O4—W1—O688.7 (4)
O44—Cu2—Cu175.1 (3)O4—W1—O892.1 (4)
O44—Cu2—N393.0 (4)O4—W1—O9154.6 (4)
O44—Cu2—N4163.0 (4)O4—W1—O1371.8 (3)
O44—Cu2—O4790.2 (4)O6—W1—K148.4 (3)
O46—Cu2—Cu177.2 (3)O6—W1—O984.6 (3)
O46—Cu2—N3171.6 (4)O6—W1—O1370.5 (3)
O46—Cu2—N490.8 (4)O8—W1—K1129.8 (3)
O46—Cu2—O4492.2 (4)O8—W1—O6155.1 (3)
O46—Cu2—O4790.0 (4)O8—W1—O984.1 (3)
O47—Cu2—Cu1159.9 (3)O8—W1—O1386.1 (3)
N5—Cu3—Cu4101.8 (3)O9—W1—K146.9 (3)
N5—Cu3—N682.5 (5)O9—W1—O1382.9 (3)
N5—Cu3—O3091.1 (4)O13—W1—K196.2 (2)
N6—Cu3—Cu484.1 (3)K2—W2—K1170.20 (11)
N6—Cu3—O30106.0 (4)O2—W2—K186.1 (3)
O30—Cu3—Cu4164.6 (2)O2—W2—K284.1 (3)
O48—Cu3—Cu478.3 (3)O2—W2—O599.9 (4)
O48—Cu3—N5174.2 (4)O2—W2—O6100.4 (4)
O48—Cu3—N691.8 (4)O2—W2—O10102.7 (4)
O48—Cu3—O3089.6 (4)O2—W2—O11103.1 (4)
O50—Cu3—Cu479.3 (3)O2—W2—O13168.9 (3)
O50—Cu3—N592.5 (4)O5—W2—K1132.6 (3)
O50—Cu3—N6161.3 (4)O5—W2—K250.4 (2)
O50—Cu3—O3092.0 (3)O5—W2—O687.9 (3)
O50—Cu3—O4893.2 (4)O5—W2—O10157.4 (3)
Cu3—Cu4—K2i117.68 (8)O5—W2—O1371.5 (3)
N7—Cu4—Cu387.9 (3)O6—W2—K145.0 (3)
N7—Cu4—K2i102.2 (3)O6—W2—K2137.9 (3)
N7—Cu4—N882.1 (5)O6—W2—O1087.2 (3)
N7—Cu4—O52103.9 (4)O6—W2—O1372.9 (3)
N8—Cu4—Cu3105.7 (3)O10—W2—K149.2 (3)
N8—Cu4—K2i136.5 (3)O10—W2—K2133.0 (3)
N8—Cu4—O5290.7 (4)O10—W2—O1385.9 (3)
O49—Cu4—Cu377.3 (3)O11—W2—K1134.1 (3)
O49—Cu4—K2i93.1 (3)O11—W2—K248.6 (2)
O49—Cu4—N7162.4 (4)O11—W2—O590.7 (3)
O49—Cu4—N892.7 (5)O11—W2—O6156.4 (3)
O49—Cu4—O5192.2 (4)O11—W2—O1085.1 (3)
O49—Cu4—O5292.9 (4)O11—W2—O1384.3 (3)
O51—Cu4—Cu375.8 (3)O13—W2—K194.7 (2)
O51—Cu4—K2i42.8 (3)O13—W2—K295.1 (2)
O51—Cu4—N793.3 (4)O3—W3—K288.0 (3)
O51—Cu4—N8175.0 (5)O3—W3—O498.8 (4)
O51—Cu4—O5288.7 (4)O3—W3—O5101.4 (4)
O52—Cu4—Cu3161.2 (3)O3—W3—O7103.4 (4)
O52—Cu4—K2i46.0 (3)O3—W3—O12103.8 (4)
C28—K1—W196.5 (3)O3—W3—O13165.9 (3)
C28—K1—W272.6 (3)O4—W3—K2132.9 (2)
C28—K1—W5115.0 (3)O4—W3—O1369.7 (3)
C28—K1—W6151.3 (3)O5—W3—K250.4 (2)
O6—K1—C2872.8 (3)O5—W3—O482.7 (3)
O6—K1—O1052.1 (2)O5—W3—O1369.9 (3)
O6—K1—O2089.0 (3)O7—W3—K2140.4 (3)
O6—K1—O4560.0 (3)O7—W3—O483.4 (3)
O6—K1—W129.61 (17)O7—W3—O5153.2 (3)
O6—K1—W227.48 (17)O7—W3—O1383.8 (3)
O6—K1—W576.3 (2)O12—W3—K247.2 (3)
O6—K1—W679.0 (2)O12—W3—O4157.3 (4)
O9—K1—C28125.1 (4)O12—W3—O590.8 (4)
O9—K1—O653.3 (3)O12—W3—O793.2 (4)
O9—K1—O1063.6 (3)O12—W3—O1387.7 (3)
O9—K1—O2054.0 (2)O13—W3—K294.2 (2)
O9—K1—O4595.6 (3)O11—W4—K251.2 (3)
O9—K1—W129.43 (17)O11—W4—O1981.3 (3)
O9—K1—W264.3 (2)O11—W4—O2585.3 (3)
O9—K1—W564.7 (2)O11—W4—O35154.6 (3)
O9—K1—W629.14 (17)O14—W4—K288.7 (3)
O10—K1—C2892.7 (4)O14—W4—O11102.7 (4)
O10—K1—W166.57 (19)O14—W4—O1996.6 (4)
O10—K1—W228.17 (16)O14—W4—O24102.0 (4)
O10—K1—W527.31 (16)O14—W4—O25172.0 (3)
O10—K1—W665.59 (19)O14—W4—O3599.8 (4)
O20—K1—C28142.6 (4)O19—W4—K2132.0 (2)
O20—K1—O1051.5 (2)O19—W4—O2583.2 (3)
O20—K1—O45147.2 (3)O24—W4—K247.8 (3)
O20—K1—W180.0 (2)O24—W4—O1193.0 (3)
O20—K1—W276.4 (2)O24—W4—O19161.4 (3)
O20—K1—W527.57 (17)O24—W4—O2578.6 (3)
O20—K1—W630.02 (16)O24—W4—O3593.7 (4)
O45—K1—C2842.5 (3)O25—W4—K297.5 (2)
O45—K1—O10107.4 (3)O35—W4—K2141.5 (3)
O45—K1—W167.7 (2)O35—W4—O1984.6 (3)
O45—K1—W279.3 (2)O35—W4—O2572.1 (3)
O45—K1—W5134.5 (3)O10—W5—K147.3 (3)
O45—K1—W6123.8 (2)O10—W5—O2085.6 (3)
W1—K1—W251.93 (9)O10—W5—O2783.5 (3)
W1—K1—W581.01 (13)O10—W5—O34156.0 (3)
W2—K1—W555.25 (9)O15—W5—K187.0 (3)
W6—K1—W158.52 (9)O15—W5—O10103.0 (4)
W6—K1—W280.16 (13)O15—W5—O19104.1 (4)
W6—K1—W551.90 (8)O15—W5—O20100.7 (4)
O2AA—K1—C28115.0 (6)O15—W5—O27169.8 (4)
O2AA—K1—O6103.0 (5)O15—W5—O34100.4 (4)
O2AA—K1—O973.0 (5)O19—W5—K1134.7 (3)
O2AA—K1—O10136.5 (6)O19—W5—O1087.5 (4)
O2AA—K1—O20100.6 (5)O19—W5—O20155.2 (3)
O2AA—K1—O4578.1 (5)O19—W5—O2783.8 (3)
O2AA—K1—W177.1 (5)O19—W5—O3491.9 (4)
O2AA—K1—W2128.9 (5)O20—W5—K145.0 (3)
O2AA—K1—W5127.0 (5)O20—W5—O2771.8 (3)
O2AA—K1—W675.6 (5)O27—W5—K191.9 (2)
C56iii—K2—W272.9 (3)O34—W5—K1129.8 (3)
C56iii—K2—W4120.0 (3)O34—W5—O2085.0 (3)
O5—K2—C56iii71.4 (3)O34—W5—O2772.6 (3)
O5—K2—W228.26 (15)O9—W6—K148.2 (3)
O5—K2—W478.50 (17)O9—W6—O2089.1 (3)
O11—K2—C56iii94.5 (3)O9—W6—O2185.0 (3)
O11—K2—O552.4 (2)O9—W6—O2783.8 (3)
O11—K2—O1265.2 (2)O9—W6—O33155.1 (4)
O11—K2—W227.99 (15)O16—W6—K181.8 (3)
O11—K2—W429.83 (15)O16—W6—O9102.0 (4)
O12—K2—C56iii120.2 (3)O16—W6—O20101.7 (4)
O12—K2—O551.2 (2)O16—W6—O21103.1 (4)
O12—K2—W264.64 (18)O16—W6—O27171.2 (3)
O12—K2—W467.68 (17)O16—W6—O33102.7 (4)
O24—K2—C56iii146.3 (3)O20—W6—K151.4 (3)
O24—K2—O591.8 (2)O20—W6—O2771.6 (3)
O24—K2—O1153.3 (2)O21—W6—K1132.2 (3)
O24—K2—O1259.7 (2)O21—W6—O20155.1 (4)
O24—K2—W278.71 (19)O21—W6—O2783.7 (3)
O24—K2—W426.29 (16)O21—W6—O3386.8 (3)
O24—K2—O1AAiv124.8 (3)O27—W6—K197.7 (2)
O42ii—K2—C56iii149.4 (3)O33—W6—K1139.2 (3)
O42ii—K2—O5110.3 (3)O33—W6—O2088.5 (3)
O42ii—K2—O11110.8 (3)O33—W6—O2771.9 (3)
O42ii—K2—O1260.7 (3)O8—W7—O2685.3 (3)
O42ii—K2—O2463.5 (3)O17—W7—O8103.2 (4)
O42ii—K2—O51iii154.5 (3)O17—W7—O21103.0 (4)
O42ii—K2—O52iii96.5 (3)O17—W7—O22102.4 (4)
O42ii—K2—O5387.3 (3)O17—W7—O26169.3 (3)
O42ii—K2—W2123.7 (2)O17—W7—O32100.3 (4)
O42ii—K2—W489.5 (2)O21—W7—O883.2 (3)
O42ii—K2—O1AAiv90.2 (3)O21—W7—O2684.3 (3)
O51iii—K2—C56iii43.3 (3)O22—W7—O888.8 (3)
O51iii—K2—O594.7 (3)O22—W7—O21154.4 (3)
O51iii—K2—O1180.5 (3)O22—W7—O2670.9 (3)
O51iii—K2—O12141.7 (3)O22—W7—O3289.4 (4)
O51iii—K2—O24112.8 (3)O32—W7—O8156.3 (3)
O51iii—K2—O52iii61.1 (3)O32—W7—O2188.4 (3)
O51iii—K2—O53106.1 (3)O32—W7—O2671.7 (3)
O51iii—K2—W277.1 (2)O7—W8—O2284.7 (3)
O51iii—K2—W491.2 (2)O7—W8—O2683.7 (3)
O51iii—K2—O1AAiv71.1 (3)O7—W8—O31153.2 (3)
O52iii—K2—C56iii103.1 (3)O18—W8—O7103.5 (4)
O52iii—K2—O5134.5 (3)O18—W8—O2299.2 (4)
O52iii—K2—O1184.3 (3)O18—W8—O23104.6 (4)
O52iii—K2—O12127.4 (3)O18—W8—O26166.3 (3)
O52iii—K2—O2467.7 (3)O18—W8—O31101.9 (4)
O52iii—K2—O53149.7 (4)O22—W8—O2669.5 (3)
O52iii—K2—W2106.2 (2)O23—W8—O790.5 (4)
O52iii—K2—W465.3 (2)O23—W8—O22156.2 (3)
O52iii—K2—O1AAiv68.6 (3)O23—W8—O2686.8 (3)
O53—K2—C56iii64.1 (3)O23—W8—O3191.4 (4)
O53—K2—O570.1 (3)O31—W8—O2282.9 (3)
O53—K2—O11122.4 (3)O31—W8—O2669.7 (3)
O53—K2—O1280.5 (3)O28—W9—O26169.1 (3)
O53—K2—O24138.2 (3)O28—W9—O31100.6 (4)
O53—K2—W296.2 (3)O28—W9—O32100.6 (4)
O53—K2—W4145.0 (3)O28—W9—O37103.7 (4)
O53—K2—O1AAiv81.4 (4)O28—W9—O38102.3 (4)
W4—K2—W257.59 (6)O31—W9—O2671.5 (3)
O1AAiv—K2—C56iii75.7 (4)O31—W9—O3286.6 (4)
O1AAiv—K2—O5143.4 (3)O31—W9—O38156.8 (3)
O1AAiv—K2—O11147.6 (3)O32—W9—O2672.0 (3)
O1AAiv—K2—O12146.2 (3)O37—W9—O2684.5 (3)
O1AAiv—K2—W2146.0 (3)O37—W9—O3193.3 (4)
O1AAiv—K2—W4133.5 (3)O37—W9—O32155.3 (3)
C1—N1—C12118.4 (11)O37—W9—O3885.4 (3)
C1—N1—Cu1130.1 (9)O38—W9—O2685.3 (3)
C12—N1—Cu1111.5 (9)O38—W9—O3285.1 (3)
C10—N2—C11118.2 (11)O29—W10—O27167.9 (4)
C10—N2—Cu1130.1 (9)O29—W10—O3399.7 (4)
C11—N2—Cu1111.7 (8)O29—W10—O3498.7 (4)
C13—N3—C24117.0 (11)O29—W10—O38102.7 (4)
C13—N3—Cu2129.4 (9)O29—W10—O39105.1 (4)
C24—N3—Cu2113.3 (9)O33—W10—O2772.0 (3)
C22—N4—C23117.9 (11)O34—W10—O2772.2 (3)
C22—N4—Cu2130.7 (9)O34—W10—O3384.9 (3)
C23—N4—Cu2110.9 (8)O38—W10—O2786.2 (3)
C29—N5—C40117.9 (12)O38—W10—O3387.9 (3)
C29—N5—Cu3130.0 (9)O38—W10—O34158.3 (3)
C40—N5—Cu3112.1 (9)O39—W10—O2783.3 (3)
C38—N6—C39118.0 (12)O39—W10—O33155.2 (3)
C38—N6—Cu3129.1 (10)O39—W10—O3490.1 (3)
C39—N6—Cu3112.9 (9)O39—W10—O3887.9 (4)
C41—N7—C52116.6 (12)O30—W11—O25172.4 (3)
C41—N7—Cu4130.6 (9)O30—W11—O35100.7 (4)
C52—N7—Cu4112.8 (9)O30—W11—O36102.2 (4)
C50—N8—C51120.7 (13)O30—W11—O37103.6 (4)
C50—N8—Cu4128.2 (10)O30—W11—O3997.0 (4)
C51—N8—Cu4111.1 (10)O35—W11—O2571.8 (3)
W1—O1—Cu1134.1 (4)O35—W11—O37153.3 (3)
W1—O4—W3126.0 (4)O35—W11—O3984.9 (3)
W2—O5—K2101.3 (3)O36—W11—O2579.4 (3)
W2—O5—W3124.8 (4)O36—W11—O3593.3 (4)
W3—O5—K2100.4 (3)O36—W11—O3792.4 (4)
W1—O6—K1102.0 (4)O36—W11—O39160.7 (3)
W2—O6—K1107.5 (3)O37—W11—O2583.6 (3)
W2—O6—W1124.8 (4)O37—W11—O3981.2 (3)
W3—O7—W8144.4 (4)O39—W11—O2581.7 (3)
Symmetry codes: (i) x, y1, z; (ii) x+1/2, y+3/2, z+1/2; (iii) x, y+1, z; (iv) x+1/2, y+5/2, z+1/2.
(fhsp23d) top
Crystal data top
K2{[Cu2(H2O)(C12H8N2)2(C2H3O2)2]4[Dy2(H2O)2(C2H3O2)2 (AsW11O39)2]}·24H2OF(000) = 16064
Mr = 8860.08Dx = 2.992 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.4810 (6) ÅCell parameters from 28283 reflections
b = 14.1040 (3) Åθ = 2.9–28.9°
c = 48.1783 (8) ŵ = 14.88 mm1
β = 108.247 (2)°T = 134 K
V = 19670.5 (7) Å3Block, blue
Z = 40.09 × 0.07 × 0.01 mm
Data collection top
Agulent Xcalibur Sapphire3
diffractometer
19347 independent reflections
Radiation source: Enhance (Mo) X-ray Source15998 reflections with I > 2σ(I)
Detector resolution: 15.9853 pixels mm-1Rint = 0.078
ω scansθmax = 26.0°, θmin = 2.9°
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
h = 3737
Tmin = 0.510, Tmax = 1.000k = 1717
130351 measured reflectionsl = 5959
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.046 w = 1/[σ2(Fo2) + (0.0216P)2 + 930.7491P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.096(Δ/σ)max = 0.001
S = 1.07Δρmax = 2.59 e Å3
19347 reflectionsΔρmin = 1.52 e Å3
687 parametersExtinction correction: SHELXL2017 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0000065 (6)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.2861 (4)0.6133 (9)0.1081 (3)0.021 (3)*
H10.2644440.6085360.1179700.026*
C20.2707 (5)0.6252 (10)0.0781 (3)0.024 (3)*
H20.2391800.6268380.0683050.029*
C30.3006 (5)0.6345 (10)0.0630 (3)0.030 (3)*
H30.2901550.6436520.0428660.036*
C40.3488 (5)0.6299 (10)0.0784 (3)0.027 (3)*
C50.3843 (5)0.6405 (11)0.0653 (3)0.032 (3)*
H50.3761300.6465900.0450850.039*
C60.4294 (5)0.6420 (11)0.0811 (3)0.035 (4)*
H60.4516880.6510140.0718730.042*
C70.4430 (4)0.6297 (10)0.1121 (3)0.025 (3)*
C80.4891 (5)0.6346 (10)0.1307 (3)0.027 (3)*
H80.5128900.6457280.1228010.032*
C90.4987 (5)0.6231 (11)0.1598 (3)0.032 (3)*
H90.5290450.6270520.1720920.039*
C100.4624 (4)0.6052 (10)0.1713 (3)0.024 (3)*
H100.4692630.5938880.1912400.029*
C110.4089 (4)0.6182 (9)0.1251 (3)0.019 (3)*
C120.3615 (4)0.6168 (9)0.1086 (3)0.020 (3)*
C130.3323 (5)0.8397 (10)0.1248 (3)0.030 (3)*
H130.3046310.8289250.1285790.036*
C140.3312 (5)0.8653 (11)0.0973 (3)0.038 (4)*
H140.3032280.8708620.0824520.046*
C150.3734 (5)0.8831 (12)0.0919 (4)0.042 (4)*
H150.3732610.8992690.0731630.051*
C160.4145 (5)0.8768 (11)0.1141 (3)0.037 (4)*
C170.4598 (6)0.8955 (13)0.1113 (4)0.052 (5)*
H170.4629410.9101910.0931450.062*
C180.4971 (7)0.8914 (14)0.1352 (4)0.058 (5)*
H180.5258060.9058530.1332890.069*
C190.4952 (5)0.8668 (12)0.1625 (3)0.041 (4)*
C200.5336 (6)0.8569 (13)0.1880 (4)0.048 (4)*
H200.5630940.8696910.1870750.058*
C210.5285 (6)0.8297 (13)0.2132 (4)0.048 (4)*
H210.5541540.8249360.2298460.058*
C220.4846 (5)0.8084 (12)0.2149 (4)0.041 (4)*
H220.4812890.7895900.2326200.050*
C230.4527 (5)0.8439 (10)0.1653 (3)0.029 (3)*
C240.4119 (5)0.8510 (11)0.1414 (3)0.030 (3)*
C250.1014 (4)0.1986 (8)0.1276 (2)0.013 (2)*
H250.1243030.2075460.1188770.016*
C260.1133 (4)0.2041 (9)0.1579 (3)0.019 (3)*
H260.1436570.2175380.1689640.023*
C270.0813 (4)0.1903 (9)0.1713 (3)0.022 (3)*
H270.0890530.1941980.1915700.026*
C280.0355 (4)0.1696 (9)0.1541 (3)0.021 (3)*
C290.0023 (5)0.1559 (11)0.1664 (3)0.033 (3)*
H290.0037020.1578320.1865360.039*
C300.0458 (5)0.1406 (11)0.1487 (3)0.036 (4)*
H300.0693820.1316320.1568700.044*
C310.0561 (5)0.1378 (10)0.1173 (3)0.027 (3)*
C320.1009 (5)0.1241 (12)0.0973 (3)0.040 (4)*
H320.1262090.1164440.1039720.048*
C330.1067 (5)0.1221 (10)0.0680 (3)0.030 (3)*
H330.1359180.1134030.0546020.037*
C340.0692 (4)0.1330 (9)0.0584 (3)0.022 (3)*
H340.0739190.1313520.0383240.026*
C350.0207 (4)0.1498 (9)0.1057 (3)0.019 (3)*
C360.0251 (4)0.1674 (9)0.1241 (3)0.019 (3)*
C370.0591 (5)0.4130 (10)0.1163 (3)0.024 (3)*
H370.0874120.4209510.1131060.029*
C380.0578 (5)0.4181 (10)0.1451 (3)0.025 (3)*
H380.0846240.4301310.1604510.030*
C390.0176 (5)0.4056 (10)0.1504 (3)0.031 (3)*
H390.0167360.4056870.1695620.038*
C400.0239 (4)0.3922 (9)0.1266 (3)0.021 (3)*
C410.0694 (5)0.3826 (10)0.1291 (3)0.027 (3)*
H410.0727660.3830520.1476480.033*
C420.1071 (5)0.3729 (10)0.1058 (3)0.025 (3)*
H420.1360090.3673770.1083360.030*
C430.1033 (4)0.3709 (9)0.0766 (3)0.019 (3)*
C440.1402 (5)0.3621 (10)0.0503 (3)0.029 (3)*
H440.1704160.3568920.0506570.035*
C450.1308 (5)0.3612 (10)0.0245 (3)0.029 (3)*
H450.1549210.3586190.0070240.035*
C460.0862 (4)0.3640 (9)0.0243 (3)0.019 (3)*
H460.0806950.3593670.0063750.023*
C470.0590 (4)0.3760 (9)0.0739 (3)0.020 (3)*
C480.0190 (4)0.3889 (9)0.0990 (3)0.018 (3)*
C490.2913 (4)0.6975 (10)0.1791 (3)0.022 (3)*
C500.2441 (4)0.7087 (10)0.1817 (3)0.025 (3)*
H50A0.2464200.7169650.2019040.038*
H50B0.2261460.6531610.1741920.038*
H50C0.2294730.7632220.1707670.038*
C510.4053 (5)0.6283 (11)0.2279 (3)0.034 (3)*
C520.4276 (8)0.5929 (19)0.2578 (5)0.095 (8)*
H52A0.4106490.5394620.2614340.143*
H52B0.4280020.6421810.2716410.143*
H52C0.4587260.5739010.2598830.143*
C530.1056 (4)0.2823 (9)0.0624 (3)0.019 (3)*
C540.1562 (5)0.2940 (12)0.0658 (3)0.038 (4)*
H54A0.1597600.3106500.0473180.058*
H54B0.1690480.3433250.0797550.058*
H54C0.1721410.2355860.0725870.058*
C550.0011 (4)0.2179 (9)0.0078 (2)0.014 (2)*
C560.0073 (5)0.1908 (11)0.0234 (3)0.031 (3)*
H56A0.0368570.2146060.0350190.046*
H56B0.0164320.2174220.0301960.046*
H56C0.0069620.1230010.0249740.046*
C1000.2489 (5)0.4865 (11)0.2196 (3)0.031 (3)*
C1010.2412 (4)0.4144 (8)0.2408 (2)0.013 (2)*
As10.20409 (4)0.20373 (8)0.12530 (2)0.0075 (2)
Cu10.36140 (5)0.58863 (11)0.16585 (3)0.0206 (3)
Cu20.38088 (5)0.79021 (12)0.18770 (4)0.0247 (4)
Cu30.03251 (5)0.16388 (11)0.06751 (3)0.0169 (3)
Cu40.01625 (5)0.36940 (11)0.05198 (3)0.0169 (3)
Dy10.27051 (2)0.20937 (4)0.21491 (2)0.01169 (12)
N10.3308 (3)0.6085 (7)0.1233 (2)0.018 (2)*
N20.4191 (4)0.6040 (8)0.1546 (2)0.023 (2)*
N30.3718 (4)0.8295 (8)0.1464 (2)0.024 (2)*
N40.4477 (4)0.8146 (9)0.1915 (2)0.031 (3)*
N50.0583 (3)0.1809 (7)0.1107 (2)0.015 (2)*
N60.0261 (3)0.1459 (7)0.0761 (2)0.018 (2)*
N70.0224 (3)0.3974 (8)0.0937 (2)0.019 (2)*
N80.0506 (3)0.3729 (7)0.0480 (2)0.014 (2)*
O10.0538 (3)0.0064 (6)0.07571 (16)0.0143 (17)*
O20.1114 (3)0.1915 (6)0.01235 (18)0.0206 (19)*
O30.0364 (3)0.3473 (6)0.07654 (16)0.0139 (17)*
O40.1171 (3)0.2807 (6)0.06578 (17)0.0157 (18)*
O50.1273 (3)0.0992 (6)0.06587 (17)0.0181 (18)*
O60.0847 (3)0.1770 (6)0.09836 (16)0.0144 (17)*
O70.0900 (3)0.3221 (6)0.13440 (16)0.0153 (18)*
O80.1223 (3)0.4297 (6)0.10022 (16)0.0127 (17)*
O90.1859 (3)0.3052 (6)0.04467 (16)0.0136 (17)*
O100.1969 (3)0.1176 (6)0.04388 (17)0.0156 (18)*
O110.1480 (3)0.0499 (6)0.09868 (16)0.0149 (17)*
O120.1066 (3)0.0241 (6)0.13418 (17)0.0153 (18)*
O130.1193 (3)0.3449 (6)0.19623 (18)0.0202 (19)*
O140.1620 (3)0.4345 (6)0.15760 (16)0.0141 (17)*
O150.1878 (3)0.5710 (6)0.12469 (17)0.0177 (18)*
O160.2027 (3)0.4149 (6)0.09209 (17)0.0159 (18)*
O170.2628 (3)0.4254 (6)0.05791 (17)0.0178 (18)*
O180.2689 (3)0.2294 (6)0.06484 (17)0.0167 (18)*
O190.2861 (3)0.0394 (6)0.05724 (17)0.0198 (19)*
O200.2258 (3)0.0082 (6)0.09065 (17)0.0161 (18)*
O210.2263 (3)0.1621 (6)0.12146 (17)0.0186 (18)*
O230.1895 (3)0.0528 (6)0.15637 (16)0.0151 (17)*
O240.1407 (3)0.0002 (6)0.19573 (17)0.0198 (19)*
O250.1329 (3)0.1775 (6)0.16695 (16)0.0144 (17)*
O260.1784 (2)0.1009 (5)0.12771 (16)0.0109 (16)*
O270.1682 (2)0.2900 (5)0.12849 (15)0.0084 (16)*
O280.2093 (2)0.2093 (6)0.09166 (16)0.0116 (16)*
O290.2551 (2)0.2123 (5)0.15115 (15)0.0106 (16)*
O300.2455 (3)0.4154 (6)0.14769 (16)0.0141 (17)*
O310.2831 (3)0.3375 (6)0.11286 (16)0.0139 (17)*
O320.2960 (3)0.1177 (6)0.11251 (16)0.0141 (17)*
O330.2672 (3)0.0099 (6)0.14677 (16)0.0141 (17)*
O340.2155 (3)0.0993 (6)0.19070 (17)0.0162 (18)*
O350.2032 (3)0.2883 (6)0.19130 (16)0.0149 (17)*
O360.3643 (3)0.0417 (6)0.16085 (17)0.0169 (18)*
O370.3142 (3)0.1154 (6)0.19315 (16)0.0142 (17)*
O380.3043 (3)0.3260 (6)0.19358 (16)0.0125 (17)*
O390.3438 (3)0.4338 (6)0.16085 (16)0.0144 (17)*
O400.3399 (3)0.2334 (6)0.15648 (16)0.0137 (17)*
O410.3474 (3)0.2298 (6)0.24808 (18)0.024 (2)*
O420.2647 (3)0.3386 (6)0.24641 (16)0.0139 (17)*
O430.3970 (3)0.5680 (7)0.2063 (2)0.030 (2)*
O440.3968 (3)0.7162 (7)0.2240 (2)0.033 (2)*
O450.3147 (3)0.7743 (7)0.18144 (19)0.027 (2)*
O460.3060 (3)0.6162 (7)0.17543 (19)0.027 (2)*
O470.3779 (3)0.9240 (7)0.2106 (2)0.035 (2)*
O480.0896 (3)0.2004 (7)0.06091 (19)0.025 (2)*
O490.0833 (3)0.3576 (7)0.06140 (19)0.026 (2)*
O500.0030 (3)0.1518 (7)0.02596 (19)0.027 (2)*
O510.0056 (3)0.3040 (6)0.01412 (17)0.0186 (18)*
O520.0181 (4)0.5074 (8)0.0309 (2)0.045 (3)*
O530.4130 (5)0.2325 (11)0.2125 (3)0.074 (4)*
O540.4540 (5)0.9633 (12)0.2615 (3)0.094 (5)*
O550.2500000.2835 (14)0.0000000.066 (5)*
O570.1768 (5)0.5881 (11)0.0094 (3)0.074 (4)*
O580.1652 (5)0.6986 (10)0.2457 (3)0.068 (4)*
O590.2119 (3)0.4299 (6)0.25372 (17)0.0159 (18)*
O600.0596 (7)0.0091 (15)0.0053 (4)0.123 (7)*
O610.2500000.4928 (11)0.0000000.043 (4)*
O620.2042 (4)0.8556 (9)0.2249 (3)0.053 (3)*
O630.4564 (4)0.4024 (9)0.2098 (3)0.054 (3)*
O650.3664 (5)0.4159 (11)0.2510 (3)0.080 (4)*
O660.1161 (5)0.4511 (12)0.2147 (3)0.088 (5)*
O670.1208 (3)0.4830 (8)0.0375 (2)0.041 (3)*
W10.10368 (2)0.05051 (4)0.09590 (2)0.01226 (10)
W20.14823 (2)0.19886 (4)0.04672 (2)0.01217 (10)
W30.09080 (2)0.31268 (3)0.09597 (2)0.01154 (10)
W40.14515 (2)0.31124 (4)0.17055 (2)0.01164 (10)
W50.18496 (2)0.45132 (3)0.12565 (2)0.01133 (10)
W60.24148 (2)0.34254 (3)0.07595 (2)0.01194 (10)
W70.25625 (2)0.10397 (3)0.07528 (2)0.01220 (11)
W80.21113 (2)0.04658 (3)0.12312 (2)0.01134 (10)
W90.16062 (2)0.05476 (4)0.17027 (2)0.01167 (10)
W100.31503 (2)0.10672 (3)0.15657 (2)0.01048 (10)
W110.30314 (2)0.34551 (3)0.15710 (2)0.01080 (10)
K10.21877 (13)0.5703 (3)0.29304 (8)0.0111 (8)*0.6
K20.1482 (2)0.0676 (5)0.03808 (13)0.0142 (13)*0.4
O0AA0.1857 (9)0.009 (2)0.0061 (6)0.181 (10)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
As10.0067 (5)0.0082 (6)0.0079 (5)0.0002 (4)0.0027 (4)0.0004 (4)
Cu10.0197 (8)0.0186 (8)0.0263 (9)0.0025 (7)0.0114 (7)0.0013 (7)
Cu20.0168 (8)0.0222 (9)0.0339 (9)0.0015 (7)0.0062 (7)0.0023 (7)
Cu30.0188 (8)0.0172 (8)0.0123 (7)0.0010 (6)0.0013 (6)0.0029 (6)
Cu40.0168 (7)0.0169 (8)0.0167 (8)0.0003 (6)0.0051 (6)0.0023 (6)
Dy10.0122 (3)0.0134 (3)0.0090 (3)0.0008 (2)0.0026 (2)0.0000 (2)
W10.0101 (2)0.0145 (2)0.0107 (2)0.0023 (2)0.00120 (18)0.00254 (19)
W20.0122 (2)0.0160 (3)0.0076 (2)0.0007 (2)0.00215 (18)0.00047 (19)
W30.0084 (2)0.0142 (2)0.0112 (2)0.00146 (19)0.00199 (18)0.00069 (19)
W40.0101 (2)0.0159 (3)0.0086 (2)0.00106 (19)0.00249 (18)0.00106 (19)
W50.0098 (2)0.0119 (2)0.0116 (2)0.00132 (19)0.00229 (18)0.00048 (19)
W60.0117 (2)0.0147 (3)0.0099 (2)0.0007 (2)0.00424 (18)0.00230 (19)
W70.0129 (2)0.0145 (3)0.0100 (2)0.0024 (2)0.00471 (18)0.00008 (19)
W80.0108 (2)0.0115 (2)0.0106 (2)0.00044 (19)0.00181 (18)0.00087 (19)
W90.0102 (2)0.0155 (3)0.0088 (2)0.0030 (2)0.00222 (18)0.00008 (19)
W100.0091 (2)0.0115 (2)0.0105 (2)0.00075 (19)0.00260 (18)0.00007 (18)
W110.0092 (2)0.0125 (2)0.0106 (2)0.00177 (19)0.00302 (18)0.00028 (18)
Geometric parameters (Å, º) top
C1—C21.381 (17)Cu4—N71.998 (10)
C1—N11.331 (15)Cu4—N81.985 (9)
C2—C31.339 (18)Cu4—O491.956 (9)
C3—C41.423 (18)Cu4—O511.978 (8)
C4—C51.423 (18)Cu4—O522.205 (11)
C4—C121.394 (17)Dy1—O342.314 (8)
C5—C61.347 (19)Dy1—O352.297 (8)
C6—C71.431 (19)Dy1—O372.346 (8)
C7—C81.412 (18)Dy1—O382.341 (8)
C7—C111.379 (17)Dy1—O412.406 (9)
C8—C91.350 (18)Dy1—O422.413 (8)
C9—C101.408 (18)Dy1—O42ii2.517 (7)
C10—N21.316 (16)Dy1—O59ii2.434 (8)
C11—C121.416 (17)Dy1—K1ii3.986 (4)
C11—N21.368 (15)O1—W11.725 (8)
C12—N11.348 (15)O2—W21.688 (8)
C13—C141.362 (19)O3—W31.701 (8)
C13—N31.330 (17)O4—W21.904 (8)
C14—C151.41 (2)O4—W31.921 (7)
C15—C161.37 (2)O5—W11.933 (8)
C16—C171.45 (2)O5—W21.898 (8)
C16—C241.390 (19)O5—K22.876 (10)
C17—C181.34 (2)O6—W11.892 (8)
C18—C191.38 (2)O6—W31.929 (8)
C19—C201.41 (2)O7—W31.864 (7)
C19—C231.38 (2)O7—W42.012 (8)
C20—C211.33 (2)O8—W31.887 (8)
C21—C221.40 (2)O8—W51.943 (7)
C22—N41.320 (18)O9—W21.910 (8)
C23—C241.409 (19)O9—W61.955 (8)
C23—N41.380 (17)O10—W21.912 (8)
C24—N31.351 (16)O10—W71.972 (8)
C25—C261.391 (16)O10—K22.974 (10)
C25—N51.337 (14)O11—W11.932 (8)
C26—C271.343 (16)O11—W81.917 (8)
C27—C281.413 (17)O11—K22.932 (10)
C28—C291.466 (18)O12—W11.856 (8)
C28—C361.376 (16)O12—W92.032 (8)
C29—C301.35 (2)O13—W41.729 (8)
C30—C311.448 (19)O14—W41.969 (8)
C31—C321.42 (2)O14—W51.895 (7)
C31—C351.374 (17)O15—W51.692 (8)
C32—C331.367 (19)O16—W51.929 (8)
C33—C341.370 (17)O16—W61.901 (8)
C34—N61.336 (15)O17—W61.702 (8)
C35—C361.424 (17)O18—W61.952 (8)
C35—N61.380 (15)O18—W71.912 (8)
C36—N51.373 (14)O19—W71.706 (8)
C37—C381.403 (17)O20—W71.916 (8)
C37—N71.313 (16)O20—W81.918 (8)
C38—C391.337 (18)O20—K23.066 (10)
C39—C401.431 (18)O21—W81.703 (8)
C40—C411.434 (17)O23—W81.916 (7)
C40—C481.384 (16)O23—W91.973 (8)
C41—C421.342 (18)O23—K1ii3.091 (9)
C42—C431.447 (17)O24—W91.713 (8)
C43—C441.409 (18)O25—W41.921 (8)
C43—C471.399 (16)O25—W91.911 (8)
C44—C451.359 (18)O26—W12.419 (7)
C45—C461.367 (17)O26—W82.347 (8)
C46—N81.312 (15)O26—W92.370 (7)
C47—C481.436 (17)O27—W32.410 (7)
C47—N81.349 (14)O27—W42.362 (7)
C48—N71.371 (15)O27—W52.346 (7)
C49—C501.490 (17)O28—W22.377 (7)
C49—O451.282 (15)O28—W62.352 (8)
C49—O461.264 (15)O28—W72.363 (7)
C50—K1i3.408 (14)O29—W102.307 (7)
C51—C521.47 (3)O29—W112.343 (7)
C51—O431.308 (17)O30—W51.886 (8)
C51—O441.268 (17)O30—W111.942 (8)
C53—C541.509 (18)O31—W61.834 (8)
C53—O481.247 (15)O31—W112.028 (7)
C53—O491.254 (15)O32—W71.833 (8)
C54—K23.441 (17)O32—W102.024 (7)
C55—C561.492 (17)O33—W81.905 (8)
C55—O501.268 (14)O33—W101.946 (8)
C55—O511.249 (14)O33—K1ii3.016 (8)
C100—C1011.510 (18)O34—W91.770 (8)
C101—Dy1ii2.864 (11)O34—K1ii3.060 (9)
C101—O421.268 (14)O35—W41.769 (8)
C101—O591.258 (13)O36—W101.717 (8)
As1—O261.670 (8)O37—W101.775 (7)
As1—O271.675 (7)O37—K1ii2.955 (9)
As1—O281.679 (7)O38—W111.769 (7)
As1—O291.665 (7)O39—W111.725 (8)
Cu1—Cu23.025 (2)O40—W101.942 (8)
Cu1—N11.986 (10)O40—W111.944 (8)
Cu1—N22.008 (10)O45—K1i2.853 (10)
Cu1—O392.244 (8)O47—K1i2.900 (10)
Cu1—O431.932 (9)O48—K23.021 (11)
Cu1—O461.924 (9)O58—K12.968 (14)
Cu2—N31.999 (11)O59—K12.702 (9)
Cu2—N42.018 (11)O60—K22.79 (2)
Cu2—O441.961 (10)O62—K1i2.936 (12)
Cu2—O451.958 (9)W1—K23.839 (6)
Cu2—O472.200 (10)W2—K23.781 (6)
Cu2—K1i3.966 (4)W7—K24.028 (6)
Cu3—Cu42.996 (2)W8—K1ii3.948 (4)
Cu3—N51.996 (10)W8—K23.954 (6)
Cu3—N61.974 (10)W9—K1ii3.960 (4)
Cu3—O12.313 (8)W10—K1ii3.841 (4)
Cu3—O481.935 (9)K2—O0AAiii2.92 (3)
Cu3—O501.928 (9)
N1—C1—C2122.5 (11)O6—W1—O11155.3 (3)
C3—C2—C1121.0 (13)O6—W1—O2686.0 (3)
C2—C3—C4118.5 (13)O6—W1—K2129.8 (2)
C5—C4—C3124.6 (13)O11—W1—O584.1 (3)
C12—C4—C3117.1 (12)O11—W1—O2670.9 (3)
C12—C4—C5118.3 (12)O11—W1—K248.3 (2)
C6—C5—C4122.3 (14)O12—W1—O5154.4 (3)
C5—C6—C7119.9 (13)O12—W1—O692.7 (3)
C8—C7—C6124.0 (12)O12—W1—O1188.2 (3)
C11—C7—C6118.4 (12)O12—W1—O2671.8 (3)
C11—C7—C8117.4 (12)O12—W1—K2135.7 (3)
C9—C8—C7120.0 (13)O26—W1—K296.37 (19)
C8—C9—C10119.3 (13)O2—W2—O4103.4 (4)
N2—C10—C9121.5 (12)O2—W2—O5102.1 (4)
C7—C11—C12121.7 (11)O2—W2—O9102.9 (4)
N2—C11—C7122.0 (11)O2—W2—O10100.6 (4)
N2—C11—C12116.2 (10)O2—W2—O28171.1 (3)
C4—C12—C11119.2 (11)O2—W2—K281.6 (3)
N1—C12—C4123.3 (11)O4—W2—O987.0 (3)
N1—C12—C11117.3 (11)O4—W2—O10155.9 (3)
N3—C13—C14122.0 (13)O4—W2—O2883.7 (3)
C13—C14—C15118.7 (15)O4—W2—K2132.3 (3)
C16—C15—C14120.4 (15)O5—W2—O485.4 (3)
C15—C16—C17125.2 (15)O5—W2—O9154.9 (3)
C15—C16—C24116.4 (14)O5—W2—O1088.7 (3)
C24—C16—C17118.4 (14)O5—W2—O2883.7 (3)
C18—C17—C16118.9 (17)O5—W2—K247.9 (3)
C17—C18—C19123.6 (18)O9—W2—O1088.5 (3)
C18—C19—C20125.6 (16)O9—W2—O2871.7 (3)
C18—C19—C23118.2 (15)O9—W2—K2139.0 (2)
C23—C19—C20116.1 (14)O10—W2—O2872.5 (3)
C21—C20—C19121.3 (17)O10—W2—K251.0 (3)
C20—C21—C22120.2 (17)O28—W2—K297.8 (2)
N4—C22—C21120.8 (15)O3—W3—O4102.5 (3)
C19—C23—C24121.1 (13)O3—W3—O6102.8 (4)
N4—C23—C19122.2 (13)O3—W3—O7102.3 (3)
N4—C23—C24116.7 (12)O3—W3—O8100.6 (4)
C16—C24—C23119.7 (13)O3—W3—O27169.5 (3)
N3—C24—C16123.4 (13)O4—W3—O683.3 (3)
N3—C24—C23116.9 (12)O4—W3—O2784.6 (3)
N5—C25—C26122.3 (10)O6—W3—O2785.6 (3)
C27—C26—C25120.4 (12)O7—W3—O4155.1 (3)
C26—C27—C28118.6 (12)O7—W3—O688.8 (3)
C27—C28—C29123.0 (12)O7—W3—O889.7 (3)
C36—C28—C27118.9 (11)O7—W3—O2771.2 (3)
C36—C28—C29118.0 (12)O8—W3—O488.2 (3)
C30—C29—C28120.5 (13)O8—W3—O6156.3 (3)
C29—C30—C31120.9 (14)O8—W3—O2771.6 (3)
C32—C31—C30124.4 (13)O7—W4—O2770.1 (3)
C35—C31—C30118.8 (12)O13—W4—O798.9 (3)
C35—C31—C32116.8 (13)O13—W4—O14101.9 (4)
C33—C32—C31119.3 (14)O13—W4—O25102.4 (4)
C32—C33—C34119.8 (14)O13—W4—O27166.8 (3)
N6—C34—C33123.6 (12)O13—W4—O35104.2 (4)
C31—C35—C36120.6 (11)O14—W4—O783.6 (3)
C31—C35—N6124.0 (11)O14—W4—O2770.3 (3)
N6—C35—C36115.4 (10)O25—W4—O784.8 (3)
C28—C36—C35121.2 (11)O25—W4—O14154.4 (3)
N5—C36—C28121.9 (11)O25—W4—O2784.3 (3)
N5—C36—C35116.9 (11)O35—W4—O7156.9 (3)
N7—C37—C38123.3 (12)O35—W4—O1491.6 (3)
C39—C38—C37119.6 (13)O35—W4—O2590.2 (3)
C38—C39—C40119.8 (13)O35—W4—O2787.0 (3)
C39—C40—C41125.5 (12)O8—W5—O2772.2 (3)
C48—C40—C39116.1 (11)O14—W5—O887.3 (3)
C48—C40—C41118.4 (11)O14—W5—O16156.9 (3)
C42—C41—C40122.4 (13)O14—W5—O2771.9 (3)
C41—C42—C43120.6 (12)O15—W5—O8100.9 (4)
C44—C43—C42126.1 (12)O15—W5—O14100.5 (4)
C47—C43—C42117.6 (11)O15—W5—O16102.3 (4)
C47—C43—C44116.3 (11)O15—W5—O27169.6 (3)
C45—C44—C43119.0 (13)O15—W5—O30103.5 (4)
C44—C45—C46120.2 (13)O16—W5—O884.7 (3)
N8—C46—C45123.3 (12)O16—W5—O2785.1 (3)
C43—C47—C48121.1 (11)O30—W5—O8155.1 (3)
N8—C47—C43123.6 (11)O30—W5—O1493.1 (3)
N8—C47—C48115.3 (10)O30—W5—O1685.3 (3)
C40—C48—C47119.8 (11)O30—W5—O2784.2 (3)
N7—C48—C40124.0 (11)O9—W6—O2871.6 (3)
N7—C48—C47116.2 (10)O16—W6—O987.7 (3)
O45—C49—C50115.3 (12)O16—W6—O18157.6 (3)
O46—C49—C50120.2 (12)O16—W6—O2885.5 (3)
O46—C49—O45124.5 (11)O17—W6—O999.7 (4)
C49—C50—K1i84.6 (8)O17—W6—O16103.0 (4)
O43—C51—C52118.3 (16)O17—W6—O1899.0 (4)
O44—C51—C52119.3 (16)O17—W6—O28167.8 (3)
O44—C51—O43122.4 (13)O17—W6—O31105.2 (4)
O48—C53—C54118.4 (12)O18—W6—O984.9 (3)
O48—C53—O49125.8 (11)O18—W6—O2872.1 (3)
O49—C53—C54115.9 (12)O31—W6—O9155.0 (3)
C53—C54—K284.8 (8)O31—W6—O1687.3 (3)
O50—C55—C56117.5 (11)O31—W6—O1890.5 (3)
O51—C55—C56117.8 (11)O31—W6—O2883.6 (3)
O51—C55—O50124.7 (11)O10—W7—O2871.8 (3)
C100—C101—Dy1ii174.8 (9)O10—W7—K244.8 (3)
O42—C101—C100121.0 (10)O18—W7—O1085.4 (3)
O42—C101—Dy1ii61.4 (6)O18—W7—O20156.5 (3)
O59—C101—C100120.1 (11)O18—W7—O2872.5 (3)
O59—C101—Dy1ii57.6 (6)O18—W7—K2130.1 (3)
O59—C101—O42118.9 (10)O19—W7—O1099.8 (4)
O26—As1—O27106.9 (4)O19—W7—O18100.2 (4)
O26—As1—O28107.2 (4)O19—W7—O20102.8 (4)
O27—As1—O28108.5 (4)O19—W7—O28169.0 (3)
O29—As1—O26111.1 (4)O19—W7—O32105.1 (4)
O29—As1—O27111.3 (4)O19—W7—K286.9 (3)
O29—As1—O28111.7 (4)O20—W7—O1085.7 (3)
N1—Cu1—Cu2101.8 (3)O20—W7—O2884.0 (3)
N1—Cu1—N282.8 (4)O20—W7—K247.2 (2)
N1—Cu1—O3990.4 (4)O28—W7—K291.7 (2)
N2—Cu1—Cu284.2 (3)O32—W7—O10155.1 (3)
N2—Cu1—O39106.1 (4)O32—W7—O1891.9 (3)
O39—Cu1—Cu2165.1 (2)O32—W7—O2087.0 (3)
O43—Cu1—Cu278.7 (3)O32—W7—O2883.7 (3)
O43—Cu1—N1174.2 (4)O32—W7—K2134.2 (3)
O43—Cu1—N291.5 (4)O11—W8—O2087.4 (3)
O43—Cu1—O3990.1 (4)O11—W8—O2672.8 (3)
O46—Cu1—Cu279.5 (3)O11—W8—K1ii138.1 (2)
O46—Cu1—N193.1 (4)O11—W8—K245.0 (2)
O46—Cu1—N2162.0 (4)O20—W8—O2686.2 (3)
O46—Cu1—O3991.4 (3)O20—W8—K1ii132.8 (2)
O46—Cu1—O4392.7 (4)O20—W8—K249.2 (3)
Cu1—Cu2—K1i117.80 (8)O21—W8—O11100.6 (4)
N3—Cu2—Cu187.9 (3)O21—W8—O20102.2 (4)
N3—Cu2—N482.2 (4)O21—W8—O2399.5 (4)
N3—Cu2—O47104.2 (4)O21—W8—O26169.3 (3)
N3—Cu2—K1i102.6 (3)O21—W8—O33102.8 (4)
N4—Cu2—Cu1105.9 (4)O21—W8—K1ii84.2 (3)
N4—Cu2—O4790.4 (4)O21—W8—K286.0 (3)
N4—Cu2—K1i136.1 (4)O23—W8—O1188.3 (3)
O44—Cu2—Cu177.1 (3)O23—W8—O20158.3 (3)
O44—Cu2—N3162.3 (4)O23—W8—O2672.2 (3)
O44—Cu2—N492.7 (4)O23—W8—K1ii50.1 (2)
O44—Cu2—O4792.8 (4)O23—W8—K2132.9 (2)
O44—Cu2—K1i92.9 (3)O26—W8—K1ii95.08 (19)
O45—Cu2—Cu176.0 (3)O26—W8—K294.7 (2)
O45—Cu2—N393.7 (4)O33—W8—O11156.5 (3)
O45—Cu2—N4175.3 (4)O33—W8—O2085.7 (3)
O45—Cu2—O4491.9 (4)O33—W8—O2389.9 (3)
O45—Cu2—O4788.5 (4)O33—W8—O2684.3 (3)
O45—Cu2—K1i42.7 (3)O33—W8—K1ii47.7 (2)
O47—Cu2—Cu1161.0 (3)O33—W8—K2134.8 (2)
O47—Cu2—K1i45.8 (3)K1ii—W8—K2170.19 (11)
N5—Cu3—Cu497.1 (3)O12—W9—O2670.2 (3)
N5—Cu3—O186.5 (3)O12—W9—K1ii132.7 (2)
N6—Cu3—Cu495.0 (3)O23—W9—O1282.8 (3)
N6—Cu3—N583.2 (4)O23—W9—O2670.8 (3)
N6—Cu3—O193.7 (4)O23—W9—K1ii50.1 (2)
O1—Cu3—Cu4170.89 (19)O24—W9—O1298.2 (3)
O48—Cu3—Cu477.8 (3)O24—W9—O23101.1 (4)
O48—Cu3—N593.4 (4)O24—W9—O25102.7 (4)
O48—Cu3—N6171.6 (4)O24—W9—O26166.3 (3)
O48—Cu3—O193.7 (3)O24—W9—O34104.3 (4)
O50—Cu3—Cu480.8 (3)O24—W9—K1ii88.2 (3)
O50—Cu3—N5175.4 (4)O25—W9—O1284.4 (3)
O50—Cu3—N692.8 (4)O25—W9—O23154.3 (3)
O50—Cu3—O196.1 (3)O25—W9—O2683.9 (3)
O50—Cu3—O4890.2 (4)O25—W9—K1ii140.0 (2)
N7—Cu4—Cu389.1 (3)O26—W9—K1ii94.40 (18)
N7—Cu4—O52106.3 (4)O34—W9—O12157.4 (3)
N8—Cu4—Cu397.6 (3)O34—W9—O2391.0 (3)
N8—Cu4—N782.2 (4)O34—W9—O2592.4 (4)
N8—Cu4—O5296.1 (4)O34—W9—O2687.2 (3)
O49—Cu4—Cu377.3 (3)O34—W9—K1ii47.6 (3)
O49—Cu4—N791.2 (4)O29—W10—K1ii97.58 (19)
O49—Cu4—N8171.8 (4)O32—W10—O2982.8 (3)
O49—Cu4—O5191.9 (3)O32—W10—K1ii131.9 (2)
O49—Cu4—O5290.4 (4)O33—W10—O2985.4 (3)
O51—Cu4—Cu375.3 (3)O33—W10—O3281.5 (3)
O51—Cu4—N7163.0 (4)O33—W10—K1ii50.8 (2)
O51—Cu4—N893.1 (4)O36—W10—O29172.1 (3)
O51—Cu4—O5290.4 (4)O36—W10—O3296.9 (3)
O52—Cu4—Cu3160.6 (3)O36—W10—O33102.5 (4)
C101ii—Dy1—K1ii60.1 (2)O36—W10—O37101.6 (4)
O34—Dy1—C101ii74.2 (3)O36—W10—O4099.4 (4)
O34—Dy1—O3779.6 (3)O36—W10—K1ii88.6 (3)
O34—Dy1—O38126.8 (3)O37—W10—O2979.1 (3)
O34—Dy1—O41144.7 (3)O37—W10—O32161.4 (3)
O34—Dy1—O42ii77.5 (3)O37—W10—O3392.7 (3)
O34—Dy1—O42129.8 (3)O37—W10—O4093.8 (3)
O34—Dy1—O59ii75.8 (3)O37—W10—K1ii47.7 (3)
O34—Dy1—K1ii49.9 (2)O40—W10—O2972.7 (3)
O35—Dy1—C101ii111.3 (3)O40—W10—O3284.9 (3)
O35—Dy1—O3471.4 (3)O40—W10—O33155.4 (3)
O35—Dy1—O37126.6 (3)O40—W10—K1ii141.4 (2)
O35—Dy1—O3883.6 (3)O30—W11—O2983.9 (3)
O35—Dy1—O41143.5 (3)O30—W11—O3180.2 (3)
O35—Dy1—O42ii88.6 (3)O30—W11—O40153.4 (3)
O35—Dy1—O4273.5 (3)O31—W11—O2981.7 (3)
O35—Dy1—O59ii133.4 (3)O38—W11—O2979.3 (3)
O35—Dy1—K1ii121.3 (2)O38—W11—O3092.6 (3)
O37—Dy1—C101ii102.1 (3)O38—W11—O31160.3 (3)
O37—Dy1—O4178.0 (3)O38—W11—O4093.3 (3)
O37—Dy1—O42ii127.8 (3)O39—W11—O29172.7 (3)
O37—Dy1—O42150.6 (3)O39—W11—O30103.0 (3)
O37—Dy1—O59ii77.1 (3)O39—W11—O3196.9 (3)
O37—Dy1—K1ii47.4 (2)O39—W11—O38102.6 (4)
O38—Dy1—C101ii158.4 (3)O39—W11—O40101.0 (3)
O38—Dy1—O3779.2 (3)O40—W11—O2971.8 (3)
O38—Dy1—O4174.7 (3)O40—W11—O3185.7 (3)
O38—Dy1—O4282.8 (3)C50i—K1—W8ii72.5 (2)
O38—Dy1—O42ii149.5 (3)C50i—K1—W10ii119.6 (2)
O38—Dy1—O59ii143.0 (3)O23ii—K1—C50i71.0 (3)
O38—Dy1—K1ii126.34 (19)O23ii—K1—W8ii28.39 (14)
O41—Dy1—C101ii84.3 (3)O23ii—K1—W10ii78.77 (17)
O41—Dy1—O42ii95.4 (3)O33ii—K1—C50i93.9 (3)
O41—Dy1—O4274.9 (3)O33ii—K1—O23ii52.4 (2)
O41—Dy1—O59ii72.8 (3)O33ii—K1—O34ii64.9 (2)
O41—Dy1—K1ii95.2 (2)O33ii—K1—W8ii27.86 (15)
O42—Dy1—C101ii86.6 (3)O33ii—K1—W10ii30.01 (15)
O42ii—Dy1—C101ii26.2 (3)O34ii—K1—C50i120.4 (3)
O42—Dy1—O42ii66.8 (3)O34ii—K1—O23ii51.5 (2)
O42—Dy1—O59ii105.3 (3)O34ii—K1—W8ii64.57 (16)
O42—Dy1—K1ii146.32 (19)O34ii—K1—W10ii67.27 (16)
O42ii—Dy1—K1ii82.64 (19)O37ii—K1—C50i146.0 (3)
O59ii—Dy1—C101ii25.9 (3)O37ii—K1—O23ii92.3 (2)
O59ii—Dy1—O42ii52.1 (3)O37ii—K1—O33ii53.6 (2)
O59ii—Dy1—K1ii41.59 (19)O37ii—K1—O34ii59.4 (2)
C1—N1—C12117.6 (11)O37ii—K1—O58124.7 (3)
C1—N1—Cu1130.2 (8)O37ii—K1—W8ii78.92 (17)
C12—N1—Cu1112.1 (8)O37ii—K1—W10ii26.38 (15)
C10—N2—C11119.4 (11)O45i—K1—C50i42.8 (3)
C10—N2—Cu1129.2 (9)O45i—K1—O23ii94.5 (3)
C11—N2—Cu1111.4 (8)O45i—K1—O33ii80.6 (3)
C13—N3—C24118.9 (12)O45i—K1—O34ii141.6 (3)
C13—N3—Cu2128.1 (9)O45i—K1—O37ii113.0 (3)
C24—N3—Cu2112.9 (9)O45i—K1—O47i60.7 (3)
C22—N4—C23119.5 (13)O45i—K1—O5871.2 (3)
C22—N4—Cu2129.2 (10)O45i—K1—O62i106.2 (3)
C23—N4—Cu2111.3 (9)O45i—K1—W8ii77.1 (2)
C25—N5—C36117.8 (10)O45i—K1—W10ii91.4 (2)
C25—N5—Cu3130.5 (8)O47i—K1—C50i102.3 (3)
C36—N5—Cu3111.6 (8)O47i—K1—O23ii134.5 (3)
C34—N6—C35116.3 (10)O47i—K1—O33ii84.5 (3)
C34—N6—Cu3130.8 (8)O47i—K1—O34ii127.5 (3)
C35—N6—Cu3112.8 (8)O47i—K1—O37ii68.1 (3)
C37—N7—C48117.0 (10)O47i—K1—O5868.4 (3)
C37—N7—Cu4131.0 (9)O47i—K1—O62i149.8 (3)
C48—N7—Cu4111.6 (8)O47i—K1—W8ii106.1 (2)
C46—N8—C47117.6 (10)O47i—K1—W10ii65.6 (2)
C46—N8—Cu4128.7 (8)O58—K1—C50i76.0 (4)
C47—N8—Cu4113.4 (8)O58—K1—O23ii143.0 (3)
W1—O1—Cu3133.9 (4)O58—K1—O33ii147.8 (3)
W2—O4—W3153.8 (5)O58—K1—O34ii146.3 (3)
W1—O5—K2104.2 (4)O58—K1—W8ii146.0 (3)
W2—O5—W1152.6 (5)O58—K1—W10ii133.6 (3)
W2—O5—K2102.8 (3)O59—K1—C50i149.8 (3)
W1—O6—W3153.4 (4)O59—K1—O23ii110.3 (3)
W3—O7—W4126.0 (4)O59—K1—O33ii110.9 (3)
W3—O8—W5124.9 (4)O59—K1—O34ii60.5 (2)
W2—O9—W6124.2 (4)O59—K1—O37ii63.3 (2)
W2—O10—W7123.3 (4)O59—K1—O45i154.9 (3)
W2—O10—K299.1 (3)O59—K1—O47i97.2 (3)
W7—O10—K2107.3 (3)O59—K1—O5890.3 (3)
W1—O11—K2102.3 (3)O59—K1—O62i87.0 (3)
W8—O11—W1124.8 (4)O59—K1—W8ii123.6 (2)
W8—O11—K2107.4 (3)O59—K1—W10ii89.4 (2)
W1—O12—W9125.5 (4)O62i—K1—C50i64.7 (3)
W5—O14—W4124.5 (4)O62i—K1—O23ii69.6 (3)
W6—O16—W5149.2 (5)O62i—K1—O33ii122.0 (3)
W7—O18—W6123.0 (4)O62i—K1—O34ii80.5 (3)
W7—O20—W8149.8 (5)O62i—K1—O37ii137.9 (3)
W7—O20—K2105.6 (3)O62i—K1—O5881.7 (4)
W8—O20—K2102.5 (3)O62i—K1—W8ii96.0 (2)
W8—O23—W9123.7 (4)O62i—K1—W10ii144.6 (3)
W8—O23—K1ii101.5 (3)W10ii—K1—W8ii57.64 (6)
W9—O23—K1ii100.5 (3)C54—K2—W196.9 (3)
W9—O25—W4144.4 (4)C54—K2—W2151.9 (3)
As1—O26—W1125.5 (4)C54—K2—W7115.8 (3)
As1—O26—W8122.7 (4)C54—K2—W873.4 (3)
As1—O26—W9122.5 (4)O5—K2—C54125.3 (4)
W8—O26—W191.4 (3)O5—K2—O1054.1 (2)
W8—O26—W993.3 (3)O5—K2—O1152.9 (2)
W9—O26—W192.4 (2)O5—K2—O2063.6 (3)
As1—O27—W3124.9 (4)O5—K2—O4895.5 (3)
As1—O27—W4123.3 (4)O5—K2—W129.20 (17)
As1—O27—W5122.6 (4)O5—K2—W229.30 (17)
W4—O27—W392.7 (2)O5—K2—W764.6 (2)
W5—O27—W391.2 (3)O5—K2—W864.1 (2)
W5—O27—W493.2 (3)O5—K2—O0AAiii103.3 (6)
As1—O28—W2126.3 (4)O10—K2—C54143.7 (4)
As1—O28—W6121.5 (4)O10—K2—O2051.9 (2)
As1—O28—W7122.9 (4)O10—K2—O48147.6 (3)
W6—O28—W292.5 (3)O10—K2—W180.2 (2)
W6—O28—W792.1 (2)O10—K2—W229.96 (16)
W7—O28—W292.3 (3)O10—K2—W727.86 (16)
As1—O29—W10124.0 (4)O10—K2—W876.7 (2)
As1—O29—W11123.5 (4)O11—K2—C5473.4 (3)
W10—O29—W1193.6 (3)O11—K2—O1089.3 (3)
W5—O30—W11157.2 (5)O11—K2—O2052.4 (2)
W6—O31—W11155.0 (4)O11—K2—O4860.3 (3)
W7—O32—W10154.5 (4)O11—K2—W129.45 (17)
W8—O33—W10154.4 (5)O11—K2—W278.8 (2)
W8—O33—K1ii104.4 (3)O11—K2—W776.2 (2)
W10—O33—K1ii99.2 (3)O11—K2—W827.56 (16)
Dy1—O34—K1ii94.7 (3)O20—K2—C5493.4 (3)
W9—O34—Dy1158.1 (5)O20—K2—W166.77 (18)
W9—O34—K1ii107.1 (4)O20—K2—W265.72 (19)
W4—O35—Dy1161.6 (5)O20—K2—W727.26 (16)
Dy1—O37—K1ii96.9 (3)O20—K2—W828.26 (15)
W10—O37—Dy1132.0 (4)O48—K2—C5442.4 (3)
W10—O37—K1ii105.9 (3)O48—K2—O20107.8 (3)
W11—O38—Dy1132.1 (4)O48—K2—W167.8 (2)
W11—O39—Cu1148.6 (4)O48—K2—W2123.8 (2)
W10—O40—W11121.3 (4)O48—K2—W7134.8 (2)
C101—O42—Dy1ii92.3 (6)O48—K2—W879.6 (2)
C101—O42—Dy1130.6 (7)O60—K2—C54115.7 (5)
Dy1—O42—Dy1ii113.2 (3)O60—K2—O572.9 (5)
C51—O43—Cu1127.9 (10)O60—K2—O1099.2 (5)
C51—O44—Cu2129.6 (9)O60—K2—O11103.6 (5)
C49—O45—Cu2128.9 (9)O60—K2—O20136.3 (5)
C49—O45—K1i115.1 (7)O60—K2—O4879.2 (5)
Cu2—O45—K1i109.6 (4)O60—K2—W177.5 (4)
C49—O46—Cu1126.4 (8)O60—K2—W274.6 (5)
Cu2—O47—K1i101.2 (4)O60—K2—W7125.8 (5)
C53—O48—Cu3126.3 (8)O60—K2—W8129.3 (4)
C53—O48—K2109.4 (7)O60—K2—O0AAiii90.5 (7)
Cu3—O48—K2124.0 (4)W1—K2—W780.91 (12)
C53—O49—Cu4126.6 (9)W1—K2—W851.88 (8)
C55—O50—Cu3123.8 (8)W2—K2—W158.46 (9)
C55—O51—Cu4130.7 (8)W2—K2—W751.80 (8)
C101—O59—Dy1ii96.6 (7)W2—K2—W880.09 (12)
C101—O59—K1124.3 (7)W8—K2—W755.24 (8)
Dy1ii—O59—K1101.7 (3)O0AAiii—K2—C54129.1 (6)
O1—W1—O5102.3 (3)O0AAiii—K2—O1056.3 (6)
O1—W1—O6103.9 (3)O0AAiii—K2—O11144.8 (6)
O1—W1—O1199.9 (4)O0AAiii—K2—O2095.5 (6)
O1—W1—O12103.1 (3)O0AAiii—K2—O48154.9 (6)
O1—W1—O26169.2 (3)O0AAiii—K2—W1132.5 (6)
O1—W1—K280.7 (3)O0AAiii—K2—W274.0 (6)
O5—W1—O2682.7 (3)O0AAiii—K2—W769.5 (5)
O5—W1—K246.6 (3)O0AAiii—K2—W8123.6 (5)
O6—W1—O584.5 (3)
Symmetry codes: (i) x+1/2, y+3/2, z+1/2; (ii) x+1/2, y+1/2, z+1/2; (iii) x, y, z.
(fhsp24d) top
Crystal data top
K2{[Cu2(H2O)(C12H8N2)2(C2H3O2)2]4[Ho2(H2O)2(C2H3O2)2 (AsW11O39)2]}·24H2OF(000) = 16096
Mr = 8870.99Dx = 2.996 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.4802 (7) ÅCell parameters from 19107 reflections
b = 14.1130 (3) Åθ = 2.8–28.3°
c = 48.1160 (13) ŵ = 14.93 mm1
β = 108.169 (3)°T = 172 K
V = 19665.9 (9) Å3Block, blue
Z = 40.08 × 0.08 × 0.01 mm
Data collection top
Agulent Xcalibur Sapphire3
diffractometer
18640 independent reflections
Radiation source: Enhance (Mo) X-ray Source13506 reflections with I > 2σ(I)
Detector resolution: 15.9853 pixels mm-1Rint = 0.106
ω scansθmax = 25.7°, θmin = 2.8°
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
h = 3737
Tmin = 0.458, Tmax = 1.000k = 1717
123225 measured reflectionsl = 5858
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.047 w = 1/[σ2(Fo2) + (0.0273P)2 + 248.0512P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.106(Δ/σ)max = 0.001
S = 1.02Δρmax = 3.66 e Å3
18640 reflectionsΔρmin = 1.61 e Å3
688 parametersExtinction correction: SHELXL2017 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0000015 (6)
Primary atom site location: structure-invariant direct methods
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.2858 (5)0.6094 (11)0.1087 (3)0.030 (4)*
H10.2641420.6008210.1183920.036*
C20.2707 (5)0.6236 (11)0.0784 (3)0.031 (4)*
H20.2392010.6270330.0685320.037*
C30.3013 (5)0.6324 (12)0.0634 (4)0.040 (5)*
H30.2908030.6413120.0432720.048*
C40.3487 (5)0.6283 (11)0.0782 (4)0.033 (4)*
C50.3845 (5)0.6398 (12)0.0652 (4)0.038 (4)*
H50.3767170.6472800.0450100.045*
C60.4292 (5)0.6399 (11)0.0815 (4)0.034 (4)*
H60.4517630.6466830.0723630.041*
C70.4427 (5)0.6299 (11)0.1125 (4)0.030 (4)*
C80.4887 (5)0.6345 (10)0.1306 (3)0.024 (4)*
H80.5123300.6458150.1225960.029*
C90.4983 (5)0.6226 (11)0.1593 (4)0.035 (4)*
H90.5286260.6260420.1715350.042*
C100.4621 (5)0.6048 (11)0.1709 (4)0.035 (4)*
H100.4690840.5935560.1908170.042*
C110.4091 (5)0.6183 (10)0.1257 (3)0.023 (3)*
C120.3615 (5)0.6170 (10)0.1085 (3)0.020 (3)*
C130.3329 (5)0.8358 (11)0.1248 (4)0.033 (4)*
H130.3053070.8220500.1283180.040*
C140.3310 (6)0.8623 (13)0.0977 (4)0.048 (5)*
H140.3027920.8686580.0830790.058*
C150.3739 (6)0.8808 (12)0.0919 (4)0.044 (5)*
H150.3739390.8960940.0731610.052*
C160.4136 (6)0.8757 (12)0.1140 (4)0.036 (4)*
C170.4594 (6)0.8939 (13)0.1112 (4)0.049 (5)*
H170.4624970.9080440.0930130.059*
C180.4972 (6)0.8898 (13)0.1352 (4)0.052 (5)*
H180.5254520.9056960.1329200.062*
C190.4971 (6)0.8637 (12)0.1632 (4)0.041 (5)*
C200.5349 (6)0.8548 (13)0.1882 (4)0.048 (5)*
H200.5644280.8674300.1873560.058*
C210.5288 (6)0.8276 (13)0.2137 (4)0.048 (5)*
H210.5542280.8237090.2304510.058*
C220.4845 (6)0.8050 (13)0.2151 (4)0.048 (5)*
H220.4812410.7838030.2326730.058*
C230.4526 (5)0.8424 (12)0.1658 (4)0.033 (4)*
C240.4124 (5)0.8481 (12)0.1411 (4)0.036 (4)*
C250.1012 (5)0.2017 (10)0.1281 (3)0.019 (3)*
H250.1238160.2133260.1192790.023*
C260.1131 (5)0.2063 (10)0.1582 (3)0.022 (3)*
H260.1433740.2201830.1692330.027*
C270.0809 (5)0.1907 (10)0.1719 (3)0.027 (4)*
H270.0886320.1935450.1921540.032*
C280.0358 (5)0.1703 (10)0.1545 (3)0.024 (4)*
C290.0021 (5)0.1543 (12)0.1669 (4)0.037 (4)*
H290.0039300.1525410.1870640.044*
C300.0459 (5)0.1420 (11)0.1487 (4)0.036 (4)*
H300.0698920.1361170.1567000.043*
C310.0562 (5)0.1377 (11)0.1174 (3)0.028 (4)*
C320.0997 (6)0.1231 (12)0.0980 (4)0.041 (5)*
H320.1245300.1144270.1051400.050*
C330.1068 (5)0.1213 (11)0.0690 (4)0.033 (4)*
H330.1362430.1115190.0559890.040*
C340.0683 (5)0.1345 (11)0.0587 (4)0.029 (4)*
H340.0731100.1344520.0386660.034*
C350.0197 (5)0.1489 (10)0.1062 (3)0.022 (3)*
C360.0264 (4)0.1674 (9)0.1251 (3)0.016 (3)*
C370.0584 (5)0.4137 (10)0.1168 (3)0.024 (4)*
H370.0866480.4221390.1136130.029*
C380.0571 (5)0.4181 (11)0.1455 (4)0.035 (4)*
H380.0839510.4289630.1609270.041*
C390.0164 (5)0.4065 (11)0.1505 (4)0.031 (4)*
H390.0152440.4071510.1696230.037*
C400.0251 (5)0.3931 (10)0.1267 (3)0.019 (3)*
C410.0703 (5)0.3821 (11)0.1295 (4)0.030 (4)*
H410.0739290.3819760.1480050.036*
C420.1067 (5)0.3721 (10)0.1062 (3)0.027 (4)*
H420.1356810.3660650.1085440.032*
C430.1030 (5)0.3703 (11)0.0772 (3)0.028 (4)*
C440.1395 (5)0.3595 (11)0.0511 (3)0.032 (4)*
H440.1695610.3541190.0516950.038*
C450.1316 (5)0.3568 (10)0.0248 (3)0.026 (4)*
H450.1559110.3509980.0075500.031*
C460.0864 (5)0.3630 (10)0.0244 (3)0.024 (4)*
H460.0809400.3606860.0064350.029*
C470.0590 (5)0.3765 (10)0.0744 (3)0.021 (3)*
C480.0197 (5)0.3899 (10)0.0989 (3)0.021 (3)*
C490.2920 (5)0.6983 (12)0.1792 (3)0.030 (4)*
C500.2438 (5)0.7079 (11)0.1812 (3)0.030 (4)*
H50A0.2453880.7188570.2012110.045*
H50B0.2268050.6507060.1743710.045*
H50C0.2284660.7602550.1694020.045*
C510.4038 (6)0.6245 (14)0.2273 (4)0.046 (5)*
C520.4227 (9)0.587 (2)0.2574 (6)0.123 (11)*
H52A0.4188200.5199080.2572500.184*
H52B0.4064860.6156910.2695490.184*
H52C0.4549060.6026720.2650560.184*
C530.1058 (5)0.2843 (11)0.0621 (3)0.024 (3)*
C1AA0.1561 (5)0.2967 (11)0.0659 (4)0.034 (4)*
H1AA0.1710530.2359640.0689180.052*
H1AB0.1598430.3258540.0487920.052*
H1AC0.1698000.3362880.0826370.052*
C550.0012 (4)0.2188 (10)0.0079 (3)0.014 (3)*
C560.0071 (5)0.1924 (11)0.0231 (3)0.031 (4)*
H56A0.0385470.2060830.0341410.046*
H56B0.0132380.2279620.0309030.046*
H56C0.0013080.1258830.0243730.046*
N10.3307 (4)0.6079 (8)0.1240 (3)0.024 (3)*
N20.4184 (4)0.6035 (8)0.1544 (3)0.024 (3)*
N30.3718 (4)0.8279 (9)0.1470 (3)0.029 (3)*
N40.4473 (4)0.8137 (9)0.1916 (3)0.031 (3)*
N50.0585 (4)0.1814 (8)0.1111 (2)0.016 (3)*
N60.0256 (4)0.1471 (8)0.0769 (3)0.023 (3)*
N70.0216 (4)0.3981 (8)0.0940 (3)0.019 (3)*
N80.0513 (4)0.3717 (8)0.0479 (2)0.017 (3)*
O0AA0.0539 (3)0.0063 (6)0.07614 (19)0.015 (2)*
O20.1110 (3)0.1903 (7)0.0123 (2)0.022 (2)*
O30.0359 (3)0.3467 (6)0.0769 (2)0.018 (2)*
O40.1165 (3)0.2800 (6)0.06557 (19)0.017 (2)*
O50.1271 (3)0.0974 (6)0.0659 (2)0.018 (2)*
O60.0847 (3)0.1754 (6)0.09891 (19)0.017 (2)*
O70.0905 (3)0.3201 (6)0.13459 (19)0.017 (2)*
O80.1220 (3)0.4293 (6)0.1003 (2)0.018 (2)*
O90.1852 (3)0.3035 (6)0.04431 (19)0.016 (2)*
O100.1965 (3)0.1163 (6)0.04399 (19)0.017 (2)*
O110.1480 (3)0.0516 (6)0.09894 (19)0.017 (2)*
O120.1066 (3)0.0230 (6)0.1342 (2)0.018 (2)*
O130.1191 (3)0.3435 (6)0.1964 (2)0.019 (2)*
O140.1616 (3)0.4323 (6)0.1576 (2)0.018 (2)*
O150.1871 (3)0.5703 (7)0.1247 (2)0.022 (2)*
O160.2023 (3)0.4143 (6)0.09177 (19)0.015 (2)*
O170.2624 (3)0.4234 (6)0.0575 (2)0.020 (2)*
O180.2681 (3)0.2278 (6)0.0645 (2)0.019 (2)*
O190.2859 (3)0.0387 (6)0.0573 (2)0.020 (2)*
O200.2260 (3)0.0071 (6)0.09081 (19)0.015 (2)*
O210.2260 (3)0.1624 (7)0.1211 (2)0.020 (2)*
O230.1889 (3)0.0521 (6)0.15623 (19)0.015 (2)*
O240.1404 (3)0.0004 (7)0.1961 (2)0.025 (2)*
O250.1328 (3)0.1759 (6)0.1672 (2)0.019 (2)*
O260.1782 (3)0.0994 (6)0.12783 (19)0.015 (2)*
O270.1681 (3)0.2891 (6)0.12811 (19)0.014 (2)*
O280.2093 (3)0.2081 (6)0.09182 (19)0.013 (2)*
O290.2543 (3)0.2124 (6)0.15091 (19)0.013 (2)*
O300.2451 (3)0.4140 (6)0.1478 (2)0.019 (2)*
O310.2831 (3)0.3362 (6)0.11242 (19)0.015 (2)*
O320.2957 (3)0.1168 (6)0.1123 (2)0.018 (2)*
O330.2668 (3)0.0094 (6)0.14651 (19)0.015 (2)*
O340.2153 (3)0.0984 (6)0.19081 (19)0.016 (2)*
O350.2030 (3)0.2881 (6)0.19120 (19)0.015 (2)*
O360.3636 (3)0.0402 (6)0.1610 (2)0.018 (2)*
O370.3133 (3)0.1153 (6)0.19317 (19)0.013 (2)*
O380.3038 (3)0.3237 (6)0.1937 (2)0.018 (2)*
O390.3432 (3)0.4322 (6)0.16098 (19)0.016 (2)*
O400.3393 (3)0.2319 (6)0.15642 (19)0.016 (2)*
O410.3470 (3)0.2291 (7)0.2479 (2)0.026 (2)*
O420.2647 (3)0.3374 (6)0.2463 (2)0.018 (2)*
O430.3962 (3)0.5676 (8)0.2061 (2)0.033 (3)*
O440.3975 (4)0.7157 (9)0.2238 (3)0.049 (3)*
O450.3148 (3)0.7725 (7)0.1819 (2)0.031 (3)*
O460.3052 (3)0.6149 (8)0.1751 (2)0.034 (3)*
O470.3779 (3)0.9233 (8)0.2104 (2)0.036 (3)*
O480.0897 (3)0.2036 (7)0.0614 (2)0.024 (2)*
O490.0833 (3)0.3582 (7)0.0619 (2)0.026 (2)*
O500.0034 (3)0.1530 (7)0.0264 (2)0.027 (2)*
O510.0056 (3)0.3047 (7)0.0142 (2)0.025 (2)*
O520.0174 (4)0.5080 (8)0.0310 (3)0.050 (3)*
O530.4148 (5)0.2324 (11)0.2123 (3)0.086 (5)*
C540.2493 (5)0.4856 (11)0.2194 (3)0.032 (4)*
H54A0.2743500.5266770.2294440.048*
H54B0.2217760.5224320.2114020.048*
H54C0.2567690.4534370.2038790.048*
O550.1664 (4)0.2987 (10)0.2463 (3)0.067 (4)*
K10.28064 (14)0.0715 (3)0.20715 (9)0.0040 (9)*0.6
Cu10.36108 (6)0.58713 (13)0.16577 (4)0.0262 (5)
Cu20.38064 (6)0.78841 (14)0.18780 (4)0.0306 (5)
Cu30.03254 (6)0.16538 (12)0.06790 (4)0.0192 (4)
Cu40.01592 (6)0.37035 (12)0.05217 (4)0.0197 (4)
As10.20376 (4)0.20274 (9)0.12525 (3)0.0090 (3)
Ho10.27016 (2)0.20870 (5)0.21511 (2)0.01432 (15)
W10.10353 (2)0.04933 (4)0.09603 (2)0.01494 (13)
W20.14799 (2)0.19733 (4)0.04670 (2)0.01438 (13)
W30.09059 (2)0.31116 (4)0.09601 (2)0.01428 (13)
W40.14504 (2)0.30988 (4)0.17070 (2)0.01387 (13)
W50.18465 (2)0.45007 (4)0.12564 (2)0.01383 (13)
W60.24109 (2)0.34132 (4)0.07586 (2)0.01407 (13)
W70.25611 (2)0.10283 (4)0.07533 (2)0.01412 (13)
W80.21095 (2)0.04768 (4)0.12315 (2)0.01397 (13)
W90.16066 (2)0.05389 (4)0.17053 (2)0.01439 (13)
W100.31469 (2)0.10570 (4)0.15672 (2)0.01274 (13)
W110.30267 (2)0.34411 (4)0.15706 (2)0.01301 (13)
C0AA0.2415 (5)0.4134 (10)0.2407 (3)0.023 (4)*
O1AA0.2122 (3)0.4311 (6)0.2535 (2)0.021 (2)*
O10.2500000.4913 (12)0.0000000.050 (5)*
O2AA0.1209 (4)0.4809 (8)0.0377 (3)0.046 (3)*
O6AA0.2057 (4)0.8539 (9)0.2255 (3)0.054 (3)*
O3AA0.4567 (4)0.4027 (10)0.2100 (3)0.063 (4)*
O5AA0.2500000.2797 (15)0.0000000.084 (7)*
O4AA0.1198 (5)0.4486 (12)0.2151 (4)0.095 (5)*
K0AA0.1469 (2)0.0690 (5)0.03799 (16)0.0136 (16)*0.4
O7AA0.1773 (5)0.4125 (11)0.0095 (4)0.091 (5)*
O8AA0.3670 (5)0.4153 (12)0.2503 (4)0.099 (6)*
O9AA0.5460 (5)0.4632 (11)0.2383 (4)0.091 (5)*
O0BA0.0596 (7)0.0083 (16)0.0063 (5)0.155 (8)*
O1BA0.1862 (9)0.0073 (19)0.0063 (6)0.201 (11)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0250 (10)0.0253 (11)0.0309 (12)0.0010 (8)0.0123 (9)0.0018 (9)
Cu20.0227 (10)0.0302 (12)0.0387 (13)0.0017 (9)0.0093 (9)0.0051 (10)
Cu30.0209 (9)0.0190 (10)0.0160 (10)0.0016 (8)0.0032 (8)0.0026 (8)
Cu40.0191 (9)0.0184 (10)0.0209 (10)0.0002 (8)0.0052 (8)0.0025 (8)
As10.0100 (6)0.0078 (7)0.0091 (7)0.0001 (5)0.0030 (6)0.0005 (5)
Ho10.0153 (3)0.0163 (4)0.0114 (3)0.0022 (3)0.0042 (3)0.0003 (3)
W10.0127 (3)0.0173 (3)0.0138 (3)0.0036 (2)0.0026 (2)0.0032 (2)
W20.0149 (3)0.0181 (3)0.0095 (3)0.0008 (2)0.0029 (2)0.0010 (2)
W30.0107 (3)0.0175 (3)0.0144 (3)0.0011 (2)0.0036 (2)0.0014 (2)
W40.0126 (3)0.0177 (3)0.0115 (3)0.0005 (2)0.0040 (2)0.0017 (2)
W50.0122 (3)0.0143 (3)0.0143 (3)0.0012 (2)0.0031 (2)0.0009 (2)
W60.0136 (3)0.0167 (3)0.0127 (3)0.0009 (2)0.0052 (2)0.0026 (2)
W70.0150 (3)0.0161 (3)0.0120 (3)0.0023 (2)0.0053 (2)0.0003 (2)
W80.0143 (3)0.0137 (3)0.0128 (3)0.0010 (2)0.0026 (2)0.0010 (2)
W90.0132 (3)0.0180 (3)0.0114 (3)0.0042 (2)0.0031 (2)0.0000 (2)
W100.0118 (3)0.0131 (3)0.0130 (3)0.0007 (2)0.0035 (2)0.0001 (2)
W110.0122 (3)0.0144 (3)0.0126 (3)0.0021 (2)0.0042 (2)0.0001 (2)
Geometric parameters (Å, º) top
C1—C21.40 (2)O9—W61.970 (9)
C1—N11.335 (17)O10—W21.906 (8)
C2—C31.35 (2)O10—W71.975 (9)
C3—C41.40 (2)O10—K0AA2.990 (11)
C4—C51.42 (2)O11—W11.941 (9)
C4—C121.40 (2)O11—W81.911 (8)
C5—C61.34 (2)O11—K0AA2.933 (11)
C6—C71.43 (2)O12—W11.846 (9)
C7—C81.402 (19)O12—W92.041 (9)
C7—C111.371 (19)O13—W41.726 (9)
C8—C91.33 (2)O14—W41.959 (9)
C9—C101.407 (19)O14—W51.895 (9)
C10—N21.319 (18)O15—W51.699 (9)
C11—C121.429 (18)O16—W51.936 (8)
C11—N21.336 (17)O16—W61.899 (8)
C12—N11.377 (16)O17—W61.703 (9)
C13—C141.34 (2)O18—W61.956 (9)
C13—N31.330 (18)O18—W71.908 (9)
C14—C151.44 (2)O19—W71.699 (9)
C15—C161.34 (2)O20—W71.911 (8)
C16—C171.47 (2)O20—W81.916 (8)
C16—C241.37 (2)O20—K0AA3.098 (11)
C17—C181.36 (2)O21—W81.695 (9)
C18—C191.40 (2)O23—K13.103 (10)
C19—C201.39 (2)O23—W81.912 (8)
C19—C231.43 (2)O23—W91.955 (9)
C20—C211.35 (2)O24—W91.719 (9)
C21—C221.41 (2)O25—W41.925 (9)
C22—N41.34 (2)O25—W91.904 (9)
C23—C241.42 (2)O26—As11.675 (9)
C23—N41.366 (19)O26—W12.420 (8)
C24—N31.386 (18)O26—W82.344 (9)
C25—C261.382 (18)O26—W92.368 (8)
C25—N51.334 (16)O27—As11.667 (8)
C26—C271.359 (18)O27—W32.406 (8)
C27—C281.399 (19)O27—W42.383 (8)
C28—C291.471 (19)O27—W52.338 (9)
C28—C361.354 (18)O28—As11.670 (8)
C29—C301.36 (2)O28—W22.387 (8)
C30—C311.44 (2)O28—W62.352 (8)
C31—C321.38 (2)O28—W72.362 (8)
C31—C351.388 (18)O29—As11.652 (8)
C32—C331.35 (2)O29—W102.328 (8)
C33—C341.421 (19)O29—W112.334 (8)
C34—N61.336 (17)O30—W51.888 (9)
C35—C361.440 (18)O30—W111.940 (9)
C35—N61.368 (17)O31—W61.826 (9)
C36—N51.364 (15)O31—W112.045 (9)
C37—C381.39 (2)O32—W71.821 (9)
C37—N71.319 (17)O32—W102.041 (9)
C38—C391.346 (19)O33—K13.038 (10)
C39—C401.431 (19)O33—W81.902 (8)
C40—C411.433 (18)O33—W101.942 (8)
C40—C481.399 (18)O34—K13.060 (9)
C41—C421.318 (19)O34—Ho12.317 (9)
C42—C431.43 (2)O34—W91.762 (8)
C43—C441.40 (2)O35—Ho12.303 (8)
C43—C471.394 (18)O35—W41.760 (8)
C44—C451.356 (19)O36—W101.710 (8)
C45—C461.387 (18)O37—K12.968 (9)
C46—N81.297 (17)O37—Ho12.334 (8)
C47—C481.407 (19)O37—W101.773 (8)
C47—N81.367 (16)O38—Ho12.324 (9)
C48—N71.357 (16)O38—W111.778 (9)
C49—C501.510 (19)O39—Cu12.248 (9)
C49—O451.239 (17)O39—W111.721 (8)
C49—O461.279 (17)O40—W101.935 (9)
C50—K1i3.411 (16)O40—W111.943 (9)
C51—C521.48 (3)O41—Ho12.397 (9)
C51—O431.260 (19)O42—Ho12.395 (9)
C51—O441.30 (2)O42—Ho1ii2.495 (9)
C53—C1AA1.496 (18)O42—C0AA1.266 (16)
C53—O481.237 (16)O43—Cu11.923 (11)
C53—O491.248 (16)O44—Cu21.938 (12)
C1AA—K0AA3.461 (18)O45—K1i2.863 (11)
C55—C561.480 (18)O45—Cu21.951 (10)
C55—O501.274 (15)O46—Cu11.931 (10)
C55—O511.248 (15)O47—K1i2.920 (11)
N1—Cu11.957 (12)O47—Cu22.207 (11)
N2—Cu12.002 (11)O48—Cu31.940 (9)
N3—Cu21.975 (13)O48—K0AA3.024 (12)
N4—Cu22.013 (12)O49—Cu41.967 (9)
N5—Cu31.994 (11)O50—Cu31.925 (10)
N6—Cu31.966 (11)O51—Cu41.982 (10)
N7—Cu42.005 (11)O52—Cu42.201 (12)
N8—Cu41.995 (10)C54—C0AA1.516 (19)
O0AA—Cu32.337 (9)O55—K1iii2.952 (14)
O0AA—W11.709 (8)K1—W93.948 (4)
O2—W21.692 (9)K1—W103.846 (4)
O3—W31.708 (9)K1—O1AAii2.702 (10)
O4—W21.911 (8)K1—O6AAiv2.893 (12)
O4—W31.919 (8)Cu1—Cu23.026 (3)
O5—W11.929 (9)Cu3—Cu42.993 (2)
O5—W21.902 (9)Ho1—C0AAii2.844 (15)
O5—K0AA2.864 (11)Ho1—O1AAii2.441 (9)
O6—W11.889 (9)W1—K0AA3.826 (7)
O6—W31.933 (9)W2—K0AA3.781 (7)
O7—W31.861 (9)W7—K0AA4.056 (7)
O7—W42.000 (9)W8—K0AA3.962 (7)
O8—W31.901 (9)C0AA—O1AA1.257 (15)
O8—W51.942 (9)K0AA—O0BA2.76 (2)
O9—W21.904 (9)K0AA—O1BA2.95 (3)
N1—C1—C2121.8 (14)O29—As1—O26111.3 (4)
C3—C2—C1120.7 (15)O29—As1—O27111.0 (4)
C2—C3—C4120.1 (17)O29—As1—O28111.5 (4)
C3—C4—C5125.7 (16)O34—Ho1—O3779.2 (3)
C12—C4—C3116.2 (14)O34—Ho1—O38126.5 (3)
C12—C4—C5118.0 (14)O34—Ho1—O41144.7 (3)
C6—C5—C4121.2 (17)O34—Ho1—O42130.2 (3)
C5—C6—C7121.4 (15)O34—Ho1—O42ii78.0 (3)
C8—C7—C6123.5 (14)O34—Ho1—K149.7 (2)
C11—C7—C6118.8 (14)O34—Ho1—C0AAii74.4 (4)
C11—C7—C8117.7 (15)O34—Ho1—O1AAii75.8 (3)
C9—C8—C7119.5 (14)O35—Ho1—O3471.6 (3)
C8—C9—C10119.3 (15)O35—Ho1—O37126.0 (3)
N2—C10—C9122.2 (16)O35—Ho1—O3883.5 (3)
C7—C11—C12120.2 (14)O35—Ho1—O41143.5 (3)
N2—C11—C7123.2 (14)O35—Ho1—O4273.7 (3)
N2—C11—C12116.6 (13)O35—Ho1—O42ii88.9 (3)
C4—C12—C11120.5 (13)O35—Ho1—K1121.2 (2)
N1—C12—C4124.1 (13)O35—Ho1—C0AAii111.7 (4)
N1—C12—C11115.4 (13)O35—Ho1—O1AAii133.8 (3)
N3—C13—C14124.4 (16)O37—Ho1—O4178.0 (3)
C13—C14—C15118.0 (17)O37—Ho1—O42150.6 (3)
C16—C15—C14119.2 (17)O37—Ho1—O42ii128.3 (3)
C15—C16—C17124.7 (17)O37—Ho1—K147.5 (2)
C15—C16—C24118.8 (16)O37—Ho1—C0AAii102.4 (4)
C24—C16—C17116.4 (16)O37—Ho1—O1AAii77.1 (3)
C18—C17—C16119.6 (18)O38—Ho1—O3778.8 (3)
C17—C18—C19125.3 (18)O38—Ho1—O4174.4 (3)
C18—C19—C23115.1 (17)O38—Ho1—O42ii149.3 (3)
C20—C19—C18127.4 (17)O38—Ho1—O4282.8 (3)
C20—C19—C23117.5 (16)O38—Ho1—K1126.1 (2)
C21—C20—C19120.0 (18)O38—Ho1—C0AAii158.3 (4)
C20—C21—C22120.9 (18)O38—Ho1—O1AAii142.7 (3)
N4—C22—C21120.8 (17)O41—Ho1—O42ii95.6 (3)
C24—C23—C19120.7 (15)O41—Ho1—K195.2 (2)
N4—C23—C19121.7 (15)O41—Ho1—C0AAii84.6 (4)
N4—C23—C24117.6 (14)O41—Ho1—O1AAii73.1 (3)
C16—C24—C23122.7 (15)O42—Ho1—O4175.0 (3)
C16—C24—N3123.1 (15)O42—Ho1—O42ii66.6 (4)
N3—C24—C23114.1 (15)O42—Ho1—K1146.5 (2)
N5—C25—C26122.6 (13)O42ii—Ho1—K183.0 (2)
C27—C26—C25120.4 (14)O42—Ho1—C0AAii86.7 (4)
C26—C27—C28118.0 (15)O42ii—Ho1—C0AAii26.4 (3)
C27—C28—C29122.7 (14)O42—Ho1—O1AAii105.7 (3)
C36—C28—C27118.6 (13)C0AAii—Ho1—K160.3 (3)
C36—C28—C29118.8 (13)O1AAii—Ho1—O42ii52.5 (3)
C30—C29—C28119.7 (16)O1AAii—Ho1—K141.5 (2)
C29—C30—C31121.9 (15)O1AAii—Ho1—C0AAii26.1 (3)
C32—C31—C30124.4 (15)O0AA—W1—O5102.3 (4)
C32—C31—C35118.2 (15)O0AA—W1—O6103.7 (4)
C35—C31—C30117.4 (14)O0AA—W1—O11100.4 (4)
C33—C32—C31121.0 (16)O0AA—W1—O12103.1 (4)
C32—C33—C34118.4 (16)O0AA—W1—O26169.5 (4)
N6—C34—C33122.3 (15)O0AA—W1—K0AA80.7 (3)
C31—C35—C36121.2 (14)O5—W1—O1184.1 (4)
N6—C35—C31122.5 (13)O5—W1—O2682.8 (3)
N6—C35—C36116.3 (12)O5—W1—K0AA46.5 (3)
C28—C36—C35120.8 (12)O6—W1—O585.2 (4)
C28—C36—N5124.1 (12)O6—W1—O11155.3 (4)
N5—C36—C35115.0 (12)O6—W1—O2685.8 (3)
N7—C37—C38123.6 (14)O6—W1—K0AA130.4 (3)
C39—C38—C37118.9 (16)O11—W1—O2670.8 (3)
C38—C39—C40120.4 (15)O11—W1—K0AA48.7 (3)
C39—C40—C41125.0 (13)O12—W1—O5154.3 (4)
C48—C40—C39115.6 (12)O12—W1—O692.2 (4)
C48—C40—C41119.4 (13)O12—W1—O1187.8 (4)
C42—C41—C40120.6 (15)O12—W1—O2671.5 (3)
C41—C42—C43122.1 (14)O12—W1—K0AA135.7 (3)
C44—C43—C42126.5 (14)O26—W1—K0AA96.8 (2)
C47—C43—C42117.6 (14)O2—W2—O4102.7 (4)
C47—C43—C44115.8 (14)O2—W2—O5102.2 (4)
C45—C44—C43121.1 (14)O2—W2—O9102.4 (4)
C44—C45—C46118.6 (15)O2—W2—O10101.1 (4)
N8—C46—C45123.0 (14)O2—W2—O28171.3 (3)
C43—C47—C48121.3 (13)O2—W2—K0AA81.6 (3)
N8—C47—C43122.6 (13)O4—W2—O2884.0 (3)
N8—C47—C48116.1 (12)O4—W2—K0AA132.2 (3)
C40—C48—C47118.9 (12)O5—W2—O485.8 (4)
N7—C48—C40123.7 (13)O5—W2—O9155.3 (4)
N7—C48—C47117.4 (13)O5—W2—O1088.5 (4)
O45—C49—C50116.2 (14)O5—W2—O2883.7 (3)
O45—C49—O46126.9 (14)O5—W2—K0AA47.5 (3)
O46—C49—C50116.9 (14)O9—W2—O486.8 (4)
C49—C50—K1i83.7 (9)O9—W2—O1088.8 (4)
O43—C51—C52119 (2)O9—W2—O2872.1 (3)
O43—C51—O44122.8 (18)O9—W2—K0AA139.5 (3)
O44—C51—C52118.2 (19)O10—W2—O4156.1 (4)
O48—C53—C1AA119.7 (13)O10—W2—O2872.3 (3)
O48—C53—O49123.8 (13)O10—W2—K0AA51.4 (3)
O49—C53—C1AA116.3 (13)O28—W2—K0AA98.1 (2)
C53—C1AA—K0AA83.5 (9)O3—W3—O4102.8 (4)
O50—C55—C56118.4 (13)O3—W3—O6103.4 (4)
O51—C55—C56117.6 (12)O3—W3—O7102.3 (4)
O51—C55—O50124.0 (13)O3—W3—O8100.0 (4)
C1—N1—C12117.0 (13)O3—W3—O27168.9 (4)
C1—N1—Cu1130.1 (10)O4—W3—O684.2 (4)
C12—N1—Cu1112.8 (9)O4—W3—O2784.6 (3)
C10—N2—C11118.0 (13)O6—W3—O2785.5 (3)
C10—N2—Cu1129.7 (11)O7—W3—O4154.9 (4)
C11—N2—Cu1112.3 (9)O7—W3—O688.0 (4)
C13—N3—C24116.5 (14)O7—W3—O889.4 (4)
C13—N3—Cu2129.3 (11)O7—W3—O2771.0 (3)
C24—N3—Cu2114.2 (10)O8—W3—O488.3 (4)
C22—N4—C23119.1 (14)O8—W3—O6156.4 (4)
C22—N4—Cu2129.0 (12)O8—W3—O2771.6 (3)
C23—N4—Cu2111.9 (10)O7—W4—O2769.5 (3)
C25—N5—C36116.2 (12)O13—W4—O799.2 (4)
C25—N5—Cu3131.0 (9)O13—W4—O14102.1 (4)
C36—N5—Cu3112.7 (9)O13—W4—O25102.3 (4)
C34—N6—C35117.6 (12)O13—W4—O27166.4 (4)
C34—N6—Cu3129.6 (10)O13—W4—O35104.5 (4)
C35—N6—Cu3112.8 (9)O14—W4—O783.3 (4)
C37—N7—C48117.6 (12)O14—W4—O2769.9 (3)
C37—N7—Cu4130.8 (10)O25—W4—O784.8 (4)
C48—N7—Cu4111.2 (9)O25—W4—O14154.2 (4)
C46—N8—C47118.9 (12)O25—W4—O2784.5 (3)
C46—N8—Cu4129.0 (10)O35—W4—O7156.3 (4)
C47—N8—Cu4111.9 (9)O35—W4—O1491.2 (4)
W1—O0AA—Cu3133.4 (5)O35—W4—O2590.6 (4)
W2—O4—W3152.8 (5)O35—W4—O2787.0 (3)
W1—O5—K0AA104.3 (4)O8—W5—O2772.5 (3)
W2—O5—W1152.3 (5)O14—W5—O887.0 (4)
W2—O5—K0AA103.2 (4)O14—W5—O16156.8 (4)
W1—O6—W3153.0 (5)O14—W5—O2771.9 (3)
W3—O7—W4127.1 (4)O15—W5—O8100.2 (4)
W3—O8—W5124.3 (5)O15—W5—O14100.6 (4)
W2—O9—W6123.7 (5)O15—W5—O16102.2 (4)
W2—O10—W7123.7 (5)O15—W5—O27169.5 (4)
W2—O10—K0AA98.7 (3)O15—W5—O30104.0 (4)
W7—O10—K0AA107.8 (4)O16—W5—O884.8 (4)
W1—O11—K0AA101.5 (4)O16—W5—O2784.9 (3)
W8—O11—W1124.6 (5)O30—W5—O8155.5 (4)
W8—O11—K0AA107.9 (4)O30—W5—O1492.9 (4)
W1—O12—W9125.9 (4)O30—W5—O1685.7 (4)
W5—O14—W4125.2 (5)O30—W5—O2784.1 (3)
W6—O16—W5148.4 (5)O9—W6—O2871.9 (3)
W7—O18—W6123.1 (4)O16—W6—O987.7 (4)
W7—O20—W8150.2 (5)O16—W6—O18157.9 (4)
W7—O20—K0AA105.7 (4)O16—W6—O2886.0 (3)
W8—O20—K0AA101.8 (3)O17—W6—O999.4 (4)
W8—O23—K1101.3 (3)O17—W6—O16103.1 (4)
W8—O23—W9125.1 (5)O17—W6—O1898.6 (4)
W9—O23—K1100.2 (3)O17—W6—O28167.4 (4)
W9—O25—W4144.3 (5)O17—W6—O31105.0 (4)
As1—O26—W1125.1 (5)O18—W6—O984.3 (4)
As1—O26—W8122.9 (4)O18—W6—O2871.9 (3)
As1—O26—W9122.4 (4)O31—W6—O9155.5 (4)
W8—O26—W191.4 (3)O31—W6—O1688.3 (4)
W8—O26—W993.5 (3)O31—W6—O1890.4 (4)
W9—O26—W192.7 (3)O31—W6—O2883.7 (3)
As1—O27—W3125.2 (4)O10—W7—O2871.8 (3)
As1—O27—W4122.4 (4)O10—W7—K0AA44.6 (3)
As1—O27—W5123.3 (4)O18—W7—O1084.9 (4)
W4—O27—W392.4 (3)O18—W7—O20156.5 (4)
W5—O27—W391.5 (3)O18—W7—O2872.4 (3)
W5—O27—W492.9 (3)O18—W7—K0AA129.2 (3)
As1—O28—W2126.0 (4)O19—W7—O10100.0 (4)
As1—O28—W6121.7 (4)O19—W7—O18100.0 (4)
As1—O28—W7123.2 (4)O19—W7—O20102.8 (4)
W6—O28—W292.2 (3)O19—W7—O28169.0 (4)
W6—O28—W792.2 (3)O19—W7—O32104.9 (4)
W7—O28—W292.2 (3)O19—W7—K0AA87.2 (3)
As1—O29—W10123.7 (4)O20—W7—O1085.8 (4)
As1—O29—W11124.5 (4)O20—W7—O2884.2 (3)
W10—O29—W1193.1 (3)O20—W7—K0AA47.3 (3)
W5—O30—W11157.0 (5)O28—W7—K0AA91.5 (2)
W6—O31—W11153.7 (5)O32—W7—O10155.0 (4)
W7—O32—W10154.1 (5)O32—W7—O1892.4 (4)
W8—O33—K1103.8 (3)O32—W7—O2087.1 (4)
W8—O33—W10155.5 (5)O32—W7—O2883.7 (3)
W10—O33—K198.7 (3)O32—W7—K0AA134.4 (3)
Ho1—O34—K195.0 (3)O11—W8—O2088.0 (4)
W9—O34—K1106.8 (4)O11—W8—O2387.7 (4)
W9—O34—Ho1158.1 (5)O11—W8—O2673.0 (3)
W4—O35—Ho1161.0 (5)O11—W8—K1137.6 (3)
Ho1—O37—K197.1 (3)O11—W8—K0AA44.8 (3)
W10—O37—K1105.6 (4)O20—W8—O2686.4 (3)
W10—O37—Ho1133.0 (4)O20—W8—K1132.6 (3)
W11—O38—Ho1132.6 (5)O20—W8—K0AA49.9 (3)
W11—O39—Cu1149.0 (5)O21—W8—O11100.1 (4)
W10—O40—W11121.6 (4)O21—W8—O20101.5 (4)
Ho1—O42—Ho1ii113.4 (4)O21—W8—O23101.0 (4)
C0AA—O42—Ho1130.7 (9)O21—W8—O26169.5 (4)
C0AA—O42—Ho1ii92.3 (8)O21—W8—O33103.3 (4)
C51—O43—Cu1128.9 (12)O21—W8—K184.8 (3)
C51—O44—Cu2128.7 (12)O21—W8—K0AA85.5 (3)
C49—O45—K1i115.4 (9)O23—W8—O20157.5 (4)
C49—O45—Cu2129.0 (10)O23—W8—O2671.3 (3)
Cu2—O45—K1i110.0 (4)O23—W8—K150.4 (3)
C49—O46—Cu1124.4 (10)O23—W8—K0AA132.1 (3)
Cu2—O47—K1i100.9 (4)O26—W8—K194.9 (2)
C53—O48—Cu3128.4 (9)O26—W8—K0AA94.6 (2)
C53—O48—K0AA108.5 (8)O33—W8—O11156.4 (4)
Cu3—O48—K0AA122.5 (4)O33—W8—O2085.0 (4)
C53—O49—Cu4127.3 (10)O33—W8—O2390.2 (4)
C55—O50—Cu3124.4 (9)O33—W8—O2684.1 (3)
C55—O51—Cu4130.9 (9)O33—W8—K148.3 (3)
C50iv—K1—W995.3 (3)O33—W8—K0AA134.8 (3)
C50iv—K1—W10119.1 (3)K1—W8—K0AA170.33 (12)
O23—K1—C50iv71.3 (3)O12—W9—O2669.8 (3)
O23—K1—W929.16 (16)O12—W9—K1132.4 (3)
O23—K1—W1078.38 (18)O23—W9—O1282.0 (4)
O33—K1—C50iv93.5 (3)O23—W9—O2670.0 (3)
O33—K1—O2352.2 (2)O23—W9—K150.7 (3)
O33—K1—O3464.8 (2)O24—W9—O1298.3 (4)
O33—K1—W964.59 (17)O24—W9—O23101.9 (4)
O33—K1—W1029.95 (17)O24—W9—O25102.3 (4)
O34—K1—C50iv120.5 (3)O24—W9—O26166.1 (4)
O34—K1—O2351.2 (2)O24—W9—O34104.5 (4)
O34—K1—W925.29 (16)O24—W9—K188.3 (3)
O34—K1—W1067.07 (17)O25—W9—O1284.3 (4)
O37—K1—C50iv145.4 (3)O25—W9—O23153.6 (4)
O37—K1—O2391.5 (3)O25—W9—O2684.1 (3)
O37—K1—O3353.4 (2)O25—W9—K1140.3 (3)
O37—K1—O3458.9 (2)O26—W9—K194.6 (2)
O37—K1—W980.22 (18)O34—W9—O12157.1 (4)
O37—K1—W1026.35 (17)O34—W9—O2391.4 (4)
O45iv—K1—C50iv42.7 (3)O34—W9—O2592.5 (4)
O45iv—K1—O2395.1 (3)O34—W9—O2687.3 (3)
O45iv—K1—O3380.9 (3)O34—W9—K147.9 (3)
O45iv—K1—O34141.9 (3)O29—W10—K197.9 (2)
O45iv—K1—O37113.3 (3)O32—W10—O2982.5 (3)
O45iv—K1—O47iv60.4 (3)O32—W10—K1131.9 (3)
O45iv—K1—O55iii70.1 (3)O33—W10—O2985.3 (3)
O45iv—K1—W9124.3 (2)O33—W10—O3281.0 (4)
O45iv—K1—W1091.6 (2)O33—W10—K151.3 (3)
O45iv—K1—O6AAiv106.0 (3)O36—W10—O29172.4 (4)
O47iv—K1—C50iv102.1 (3)O36—W10—O3296.9 (4)
O47iv—K1—O23134.0 (3)O36—W10—O33102.2 (4)
O47iv—K1—O3384.0 (3)O36—W10—O37102.1 (4)
O47iv—K1—O34127.1 (3)O36—W10—O40100.0 (4)
O47iv—K1—O3768.2 (3)O36—W10—K188.2 (3)
O47iv—K1—O55iii68.8 (3)O37—W10—O2978.9 (3)
O47iv—K1—W9145.0 (2)O37—W10—O32160.9 (3)
O47iv—K1—W1065.3 (2)O37—W10—O3393.2 (4)
O55iii—K1—C50iv75.6 (4)O37—W10—O4093.8 (4)
O55iii—K1—O23142.9 (3)O37—W10—K148.0 (3)
O55iii—K1—O33147.2 (3)O40—W10—O2972.4 (3)
O55iii—K1—O34147.1 (3)O40—W10—O3284.6 (4)
O55iii—K1—O37125.5 (3)O40—W10—O33154.8 (4)
O55iii—K1—W9145.8 (3)O40—W10—K1141.7 (3)
O55iii—K1—W10133.7 (3)O30—W11—O2983.4 (3)
W10—K1—W979.73 (8)O30—W11—O3180.8 (4)
O1AAii—K1—C50iv150.5 (3)O30—W11—O40153.4 (4)
O1AAii—K1—O23110.2 (3)O31—W11—O2981.8 (3)
O1AAii—K1—O33110.8 (3)O38—W11—O2979.2 (4)
O1AAii—K1—O3460.6 (3)O38—W11—O3092.8 (4)
O1AAii—K1—O3763.2 (3)O38—W11—O31160.6 (4)
O1AAii—K1—O45iv154.3 (3)O38—W11—O4092.9 (4)
O1AAii—K1—O47iv97.0 (3)O39—W11—O29173.2 (3)
O1AAii—K1—O55iii91.0 (4)O39—W11—O30103.0 (4)
O1AAii—K1—W981.1 (2)O39—W11—O3196.8 (4)
O1AAii—K1—W1089.3 (2)O39—W11—O38102.5 (4)
O1AAii—K1—O6AAiv87.2 (3)O39—W11—O40101.2 (4)
O6AAiv—K1—C50iv65.0 (3)O40—W11—O2972.1 (3)
O6AAiv—K1—O2370.7 (3)O40—W11—O3185.4 (4)
O6AAiv—K1—O33122.9 (3)O42—C0AA—C54121.2 (13)
O6AAiv—K1—O3481.4 (3)O42—C0AA—Ho1ii61.3 (7)
O6AAiv—K1—O37138.2 (3)C54—C0AA—Ho1ii174.5 (11)
O6AAiv—K1—O47iv149.2 (4)O1AA—C0AA—O42119.9 (13)
O6AAiv—K1—O55iii80.7 (4)O1AA—C0AA—C54118.8 (13)
O6AAiv—K1—W965.8 (3)O1AA—C0AA—Ho1ii58.8 (7)
O6AAiv—K1—W10145.5 (3)Ho1ii—O1AA—K1ii101.8 (3)
N1—Cu1—N282.8 (5)C0AA—O1AA—K1ii125.1 (9)
N1—Cu1—O3991.0 (4)C0AA—O1AA—Ho1ii95.1 (8)
N1—Cu1—Cu2101.4 (4)C1AA—K0AA—W197.2 (3)
N2—Cu1—O39106.8 (4)C1AA—K0AA—W2152.0 (3)
N2—Cu1—Cu283.9 (3)C1AA—K0AA—W7115.3 (3)
O39—Cu1—Cu2164.6 (2)C1AA—K0AA—W873.4 (3)
O43—Cu1—N1174.8 (4)O5—K0AA—C1AA125.6 (4)
O43—Cu1—N292.0 (5)O5—K0AA—O1053.9 (3)
O43—Cu1—O3990.3 (4)O5—K0AA—O1153.1 (3)
O43—Cu1—O4692.8 (4)O5—K0AA—O2063.5 (3)
O43—Cu1—Cu278.1 (3)O5—K0AA—O4896.3 (3)
O46—Cu1—N192.3 (5)O5—K0AA—W129.25 (19)
O46—Cu1—N2161.5 (5)O5—K0AA—W229.33 (19)
O46—Cu1—O3991.0 (4)O5—K0AA—W764.3 (2)
O46—Cu1—Cu279.6 (3)O5—K0AA—W863.9 (2)
N3—Cu2—N482.1 (5)O5—K0AA—O1BA103.4 (6)
N3—Cu2—O47103.4 (5)O10—K0AA—C1AA142.9 (4)
N3—Cu2—K1i102.4 (4)O10—K0AA—O2051.5 (3)
N3—Cu2—Cu188.1 (4)O10—K0AA—O48147.8 (4)
N4—Cu2—O4789.7 (4)O10—K0AA—W180.0 (2)
N4—Cu2—K1i135.6 (4)O10—K0AA—W229.89 (17)
N4—Cu2—Cu1106.3 (4)O10—K0AA—W727.61 (18)
O44—Cu2—N3162.2 (5)O10—K0AA—W876.3 (2)
O44—Cu2—N491.8 (5)O11—K0AA—C1AA73.4 (4)
O44—Cu2—O4592.5 (5)O11—K0AA—O1089.0 (3)
O44—Cu2—O4793.2 (5)O11—K0AA—O2052.2 (3)
O44—Cu2—K1i93.7 (3)O11—K0AA—O4860.5 (3)
O44—Cu2—Cu177.5 (4)O11—K0AA—W129.80 (18)
O45—Cu2—N394.1 (5)O11—K0AA—W279.0 (2)
O45—Cu2—N4175.4 (5)O11—K0AA—W775.9 (2)
O45—Cu2—O4788.6 (4)O11—K0AA—W827.31 (17)
O45—Cu2—K1i42.5 (3)O11—K0AA—O1BA144.1 (6)
O45—Cu2—Cu176.1 (3)O20—K0AA—C1AA93.2 (4)
O47—Cu2—K1i46.1 (3)O20—K0AA—W166.9 (2)
O47—Cu2—Cu1161.6 (3)O20—K0AA—W265.6 (2)
Cu1—Cu2—K1i117.83 (8)O20—K0AA—W726.96 (17)
N5—Cu3—O0AA86.2 (4)O20—K0AA—W828.26 (17)
N5—Cu3—Cu497.8 (3)O48—K0AA—C1AA42.1 (3)
N6—Cu3—N583.0 (5)O48—K0AA—O20107.7 (3)
N6—Cu3—O0AA93.3 (4)O48—K0AA—W168.4 (2)
N6—Cu3—Cu495.1 (3)O48—K0AA—W2124.7 (3)
O0AA—Cu3—Cu4171.0 (2)O48—K0AA—W7134.4 (3)
O48—Cu3—N593.0 (4)O48—K0AA—W879.5 (2)
O48—Cu3—N6171.0 (5)W1—K0AA—W780.70 (14)
O48—Cu3—O0AA94.5 (3)W1—K0AA—W851.90 (9)
O48—Cu3—Cu477.3 (3)W2—K0AA—W158.54 (10)
O50—Cu3—N5175.9 (4)W2—K0AA—W751.62 (9)
O50—Cu3—N693.4 (4)W2—K0AA—W879.95 (14)
O50—Cu3—O0AA95.9 (4)W8—K0AA—W754.91 (9)
O50—Cu3—O4890.3 (4)O0BA—K0AA—C1AA116.7 (6)
O50—Cu3—Cu480.7 (3)O0BA—K0AA—O572.3 (5)
N7—Cu4—O52106.5 (5)O0BA—K0AA—O1098.8 (5)
N7—Cu4—Cu388.9 (3)O0BA—K0AA—O11103.6 (5)
N8—Cu4—N782.3 (4)O0BA—K0AA—O20135.6 (6)
N8—Cu4—O5296.5 (4)O0BA—K0AA—O4880.3 (5)
N8—Cu4—Cu397.0 (3)O0BA—K0AA—W177.0 (5)
O49—Cu4—N791.2 (4)O0BA—K0AA—W274.1 (5)
O49—Cu4—N8171.3 (4)O0BA—K0AA—W7125.2 (5)
O49—Cu4—O5191.9 (4)O0BA—K0AA—W8128.8 (5)
O49—Cu4—O5291.0 (4)O0BA—K0AA—O1BA91.5 (7)
O49—Cu4—Cu376.9 (3)O1BA—K0AA—C1AA128.1 (6)
O51—Cu4—N7162.8 (4)O1BA—K0AA—O1056.2 (6)
O51—Cu4—N892.7 (4)O1BA—K0AA—O2094.5 (6)
O51—Cu4—O5290.4 (4)O1BA—K0AA—O48155.3 (6)
O51—Cu4—Cu375.4 (3)O1BA—K0AA—W1132.7 (6)
O52—Cu4—Cu3160.7 (3)O1BA—K0AA—W274.1 (5)
O27—As1—O26107.5 (4)O1BA—K0AA—W768.9 (5)
O27—As1—O28108.1 (4)O1BA—K0AA—W8122.6 (5)
O28—As1—O26107.4 (4)
Symmetry codes: (i) x, y+1, z; (ii) x+1/2, y+1/2, z+1/2; (iii) x+1/2, y1/2, z+1/2; (iv) x, y1, z.
(fhsp25c) top
Crystal data top
K2{[Cu2(H2O)(C12H8N2)2(C2H3O2)2]4[Eu2(H2O)2(C2H3O2)2 (AsW11O39)2]}·24H2OF(000) = 16076
Mr = 8868.59Dx = 2.965 Mg m3
Monoclinic, I2/aMo Kα radiation, λ = 0.71073 Å
a = 30.581 (2) ÅCell parameters from 5360 reflections
b = 14.1638 (6) Åθ = 2.9–24.5°
c = 48.299 (3) ŵ = 14.83 mm1
β = 108.273 (7)°T = 140 K
V = 19865 (2) Å3Block, blue
Z = 40.09 × 0.07 × 0.01 mm
Data collection top
Agulent Xcalibur Sapphire3
diffractometer
18853 independent reflections
Radiation source: Enhance (Mo) X-ray Source9768 reflections with I > 2σ(I)
Detector resolution: 15.9853 pixels mm-1Rint = 0.247
ω scansθmax = 25.7°, θmin = 2.9°
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2013)
h = 3737
Tmin = 0.664, Tmax = 1.000k = 1717
126680 measured reflectionsl = 5858
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.087H-atom parameters constrained
wR(F2) = 0.183 w = 1/[σ2(Fo2) + (0.0242P)2 + 52.5653P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.001
18853 reflectionsΔρmax = 3.76 e Å3
690 parametersΔρmin = 2.33 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.2859 (10)0.609 (2)0.1094 (6)0.034 (8)*
H10.2639620.6042890.1189570.041*
C20.2723 (11)0.620 (2)0.0798 (6)0.037 (8)*
H20.2409000.6221870.0698320.045*
C30.3022 (11)0.629 (2)0.0641 (7)0.049 (10)*
H30.2916010.6367790.0439660.059*
C40.3486 (11)0.626 (2)0.0790 (7)0.044 (9)*
C50.3837 (11)0.641 (2)0.0672 (7)0.041 (9)*
H50.3756210.6560570.0475270.049*
C60.4256 (11)0.636 (2)0.0812 (7)0.041 (9)*
H60.4467040.6380270.0709690.050*
C70.4428 (10)0.627 (2)0.1127 (6)0.035 (8)*
C80.4897 (11)0.634 (2)0.1304 (7)0.047 (9)*
H80.5137120.6452950.1228850.056*
C90.4960 (11)0.621 (2)0.1589 (7)0.047 (9)*
H90.5263320.6219770.1711350.057*
C100.4617 (10)0.606 (2)0.1723 (7)0.041 (9)*
H100.4690940.6008040.1923890.049*
C110.4088 (11)0.616 (2)0.1257 (7)0.044 (9)*
C120.3616 (11)0.613 (2)0.1091 (7)0.046 (9)*
C130.3328 (9)0.8365 (18)0.1252 (6)0.023 (7)*
H130.3050910.8254040.1288530.028*
C140.3298 (12)0.860 (2)0.0959 (7)0.051 (10)*
H140.3020300.8616180.0807640.061*
C150.3717 (12)0.880 (2)0.0919 (8)0.056 (10)*
H150.3716140.8957680.0731710.067*
C160.4141 (12)0.877 (2)0.1139 (7)0.053 (10)*
C170.4584 (11)0.896 (2)0.1103 (7)0.044 (9)*
H170.4618150.9111500.0924000.052*
C180.4958 (12)0.889 (2)0.1358 (7)0.056 (10)*
H180.5238160.9056440.1333200.067*
C190.4992 (13)0.864 (3)0.1632 (8)0.060 (11)*
C200.5352 (14)0.857 (3)0.1888 (8)0.070 (12)*
H200.5647930.8736170.1891830.084*
C210.5281 (13)0.828 (3)0.2123 (8)0.068 (12)*
H210.5536050.8254530.2289810.082*
C220.4858 (11)0.800 (2)0.2153 (7)0.047 (9)*
H220.4837540.7734130.2323730.056*
C230.4541 (12)0.841 (2)0.1658 (7)0.051 (10)*
C240.4110 (10)0.849 (2)0.1402 (7)0.036 (8)*
C250.1016 (9)0.2041 (18)0.1285 (6)0.024 (7)*
H250.1247280.2158440.1202180.029*
C260.1118 (9)0.2082 (19)0.1580 (6)0.026 (7)*
H260.1417700.2230110.1692230.031*
C270.0807 (9)0.192 (2)0.1713 (6)0.031 (8)*
H270.0894720.1923940.1915680.038*
C280.0372 (8)0.1755 (17)0.1560 (5)0.013 (6)*
C290.0023 (11)0.154 (2)0.1663 (8)0.054 (10)*
H290.0033660.1497990.1863740.065*
C300.0461 (10)0.141 (2)0.1488 (6)0.031 (8)*
H300.0692690.1328870.1573360.038*
C310.0577 (9)0.1392 (18)0.1185 (5)0.017 (6)*
C320.1014 (12)0.119 (2)0.0968 (7)0.051 (10)*
H320.1266460.1040090.1027500.061*
C330.1060 (10)0.1228 (19)0.0684 (6)0.032 (8)*
H330.1353820.1174770.0550060.038*
C340.0692 (9)0.1340 (18)0.0580 (6)0.020 (7)*
H340.0738670.1313440.0380050.024*
C350.0185 (8)0.1487 (16)0.1065 (5)0.009 (5)*
C360.0254 (8)0.1678 (17)0.1245 (5)0.011 (6)*
C370.0555 (9)0.4141 (18)0.1173 (5)0.020 (7)*
H370.0840800.4226910.1146630.024*
C380.0555 (10)0.4204 (19)0.1461 (6)0.028 (7)*
H380.0820590.4338490.1613930.034*
C390.0142 (10)0.406 (2)0.1503 (7)0.037 (8)*
H390.0128060.4046170.1692610.045*
C400.0247 (10)0.393 (2)0.1280 (6)0.034 (8)*
C410.0708 (10)0.382 (2)0.1290 (7)0.041 (9)*
H410.0749010.3831320.1473040.049*
C420.1063 (9)0.3698 (18)0.1073 (6)0.023 (7)*
H420.1346650.3630680.1102950.028*
C430.1040 (10)0.366 (2)0.0766 (6)0.032 (8)*
C440.1419 (10)0.359 (2)0.0502 (6)0.033 (8)*
H440.1721310.3568040.0505400.039*
C450.1322 (10)0.3562 (19)0.0249 (6)0.029 (7)*
H450.1560510.3515400.0074110.035*
C460.0878 (9)0.3600 (19)0.0245 (6)0.029 (7)*
H460.0822880.3568450.0066780.035*
C470.0596 (10)0.378 (2)0.0748 (6)0.027 (7)*
C480.0186 (10)0.386 (2)0.0989 (6)0.028 (7)*
C490.2912 (9)0.698 (2)0.1792 (6)0.023 (7)*
C500.2430 (9)0.709 (2)0.1811 (6)0.034 (8)*
H50A0.2447450.7324200.2001260.051*
H50B0.2274350.6496710.1778130.051*
H50C0.2262780.7538120.1666130.051*
C510.4033 (12)0.626 (3)0.2268 (7)0.051 (10)*
C520.4199 (12)0.587 (3)0.2571 (7)0.072 (12)*
H52A0.4124050.5212650.2566800.108*
H52B0.4052960.6201680.2691980.108*
H52C0.4526930.5949330.2649450.108*
C530.1046 (10)0.290 (2)0.0632 (6)0.030 (7)*
C1AA0.1549 (10)0.305 (2)0.0666 (7)0.049 (9)*
H1AA0.1590860.3062690.0477090.074*0.5
H1AB0.1650590.3638280.0763850.074*
H1AC0.1726020.2542320.0778630.074*
C550.0010 (9)0.217 (2)0.0082 (6)0.022 (7)*
C560.0057 (11)0.191 (2)0.0229 (6)0.047 (9)*
H56A0.0264020.1382570.0282560.071*
H56B0.0184330.2437280.0352710.071*
H56C0.0234260.1741180.0251050.071*
N10.3304 (7)0.6057 (15)0.1246 (5)0.025 (6)*
N20.4169 (7)0.6010 (15)0.1545 (5)0.025 (6)*
N30.3710 (8)0.8290 (17)0.1480 (5)0.035 (7)*
N40.4471 (9)0.8155 (18)0.1912 (5)0.041 (7)*
N50.0595 (7)0.1835 (14)0.1113 (4)0.014 (5)*
N60.0255 (8)0.1491 (17)0.0768 (5)0.036 (7)*
N70.0209 (7)0.3975 (15)0.0930 (5)0.023 (6)*
N80.0523 (7)0.3678 (15)0.0486 (5)0.024 (6)*
O10.0536 (6)0.0092 (14)0.0766 (4)0.036 (5)*
O1AA0.1101 (6)0.1903 (13)0.0122 (4)0.030 (5)*
O30.0345 (6)0.3453 (12)0.0772 (4)0.023 (4)*
O40.1164 (6)0.2788 (12)0.0662 (3)0.020 (4)*
O50.1266 (6)0.1010 (13)0.0658 (4)0.032 (5)*
O60.0830 (6)0.1740 (12)0.0995 (4)0.024 (5)*
O70.0898 (6)0.3189 (13)0.1349 (4)0.032 (5)*
O80.1205 (6)0.4271 (12)0.1004 (4)0.022 (4)*
O90.1838 (6)0.3035 (12)0.0439 (4)0.025 (5)*
O100.1978 (6)0.1172 (12)0.0447 (4)0.025 (5)*
O110.1468 (6)0.0524 (13)0.0988 (4)0.030 (5)*
O120.1063 (6)0.0226 (12)0.1350 (4)0.022 (4)*
O130.1192 (6)0.3457 (13)0.1966 (4)0.029 (5)*
O140.1609 (6)0.4316 (12)0.1578 (4)0.026 (5)*
O150.1851 (6)0.5708 (12)0.1241 (4)0.026 (5)*
O160.2026 (5)0.4158 (11)0.0928 (3)0.016 (4)*
O170.2616 (6)0.4220 (12)0.0571 (4)0.024 (5)*
O180.2682 (6)0.2285 (12)0.0652 (4)0.022 (4)*
O190.2855 (6)0.0414 (14)0.0583 (4)0.037 (5)*
O200.2251 (6)0.0054 (12)0.0923 (4)0.023 (5)*
O210.2259 (6)0.1656 (12)0.1221 (3)0.020 (4)*
O230.1891 (6)0.0518 (12)0.1564 (4)0.024 (5)*
O240.1408 (6)0.0038 (12)0.1957 (4)0.025 (5)*
O250.1324 (5)0.1737 (11)0.1673 (3)0.014 (4)*
O260.1779 (6)0.0980 (12)0.1281 (3)0.020 (4)*
O270.1678 (5)0.2858 (12)0.1287 (3)0.018 (4)*
O280.2086 (5)0.2082 (11)0.0926 (3)0.017 (4)*
O290.2538 (6)0.2117 (12)0.1510 (4)0.024 (5)*
O300.2444 (6)0.4118 (13)0.1484 (4)0.027 (5)*
O310.2827 (6)0.3370 (12)0.1128 (4)0.026 (5)*
O320.2959 (6)0.1171 (13)0.1133 (4)0.028 (5)*
O330.2662 (5)0.0099 (11)0.1470 (3)0.015 (4)*
O340.2151 (6)0.0968 (12)0.1914 (4)0.023 (4)*
O350.2041 (6)0.2848 (12)0.1915 (3)0.019 (4)*
O360.3632 (6)0.0406 (12)0.1613 (4)0.022 (4)*
O370.3119 (5)0.1155 (11)0.1929 (3)0.015 (4)*
O380.3017 (5)0.3241 (11)0.1934 (3)0.014 (4)*
O390.3436 (6)0.4303 (12)0.1614 (4)0.025 (5)*
O400.3386 (6)0.2336 (12)0.1569 (4)0.022 (4)*
O410.3467 (6)0.2288 (12)0.2467 (4)0.025 (5)*
O420.2644 (6)0.3343 (12)0.2467 (4)0.022 (4)*
O430.3957 (7)0.5624 (14)0.2063 (4)0.037 (5)*
O440.3989 (7)0.7116 (15)0.2241 (4)0.045 (6)*
O450.3155 (6)0.7707 (13)0.1826 (4)0.030 (5)*
O460.3056 (7)0.6165 (15)0.1762 (4)0.044 (6)*
O470.3776 (8)0.9231 (16)0.2105 (5)0.058 (7)*
O480.0893 (6)0.2055 (12)0.0620 (3)0.019 (4)*
O490.0812 (6)0.3629 (12)0.0617 (4)0.023 (4)*
O500.0028 (6)0.1561 (13)0.0264 (4)0.029 (5)*
O510.0046 (6)0.3032 (13)0.0145 (4)0.029 (5)*
O520.0150 (8)0.5117 (16)0.0306 (5)0.064 (7)*
O530.4157 (11)0.229 (2)0.2119 (7)0.119 (11)*
C540.2504 (10)0.484 (2)0.2184 (6)0.032 (8)*
O550.1671 (8)0.2990 (17)0.2458 (5)0.069 (8)*
O570.1770 (11)0.582 (2)0.0083 (7)0.126 (12)*
O580.2500000.274 (3)0.0000000.103 (14)*
Cu10.36064 (13)0.5861 (3)0.16601 (8)0.0353 (10)
Cu20.38036 (12)0.7876 (3)0.18802 (9)0.0377 (10)
Cu30.03243 (12)0.1672 (2)0.06828 (7)0.0267 (9)
Cu40.01488 (12)0.3706 (2)0.05221 (8)0.0275 (9)
As10.20334 (9)0.20159 (18)0.12542 (5)0.0128 (6)
Er0.26968 (4)0.20833 (9)0.21523 (3)0.0218 (3)
W10.10328 (4)0.04847 (8)0.09643 (2)0.0213 (3)
W20.14750 (4)0.19623 (8)0.04700 (2)0.0213 (3)
W30.09006 (4)0.30972 (8)0.09633 (2)0.0206 (3)
W40.14479 (4)0.30882 (8)0.17095 (2)0.0200 (3)
W50.18393 (4)0.44908 (8)0.12575 (2)0.0204 (3)
W60.24042 (4)0.34045 (8)0.07607 (2)0.0206 (3)
W70.25578 (4)0.10210 (8)0.07566 (2)0.0212 (3)
W80.21080 (4)0.04854 (8)0.12342 (2)0.0209 (3)
W90.16058 (4)0.05321 (8)0.17084 (2)0.0206 (3)
W100.31432 (4)0.10542 (8)0.15694 (2)0.0188 (3)
W110.30201 (4)0.34313 (8)0.15717 (2)0.0196 (3)
O0AA0.2126 (6)0.4287 (13)0.2533 (4)0.034 (5)*
C2AA0.2424 (9)0.415 (2)0.2414 (6)0.026 (7)*
K10.2196 (3)0.5710 (6)0.29295 (17)0.0126 (19)*0.6667
K20.1473 (5)0.0705 (10)0.0397 (3)0.003 (3)*0.3333
O2AA0.2500000.488 (2)0.0000000.051 (9)*
O3AA0.2065 (8)0.8573 (16)0.2258 (5)0.059 (7)*
O4AA0.4583 (8)0.4031 (16)0.2105 (5)0.058 (7)*
O5AA0.1182 (8)0.4761 (16)0.0383 (5)0.061 (7)*
O6AA0.3668 (10)0.415 (2)0.2511 (6)0.108 (11)*
O7AA0.1843 (14)0.012 (3)0.0066 (9)0.048 (12)*0.5
O8AA0.1128 (19)0.230 (4)0.0036 (12)0.097 (19)*0.5
O9AA0.1224 (10)0.448 (2)0.2148 (6)0.098 (10)*
O20.4535 (10)0.963 (2)0.2611 (6)0.106 (10)*
O0BA0.0583 (11)0.009 (2)0.0075 (7)0.128 (12)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.035 (2)0.030 (2)0.046 (3)0.002 (2)0.020 (2)0.004 (2)
Cu20.026 (2)0.036 (2)0.053 (3)0.002 (2)0.016 (2)0.010 (2)
Cu30.029 (2)0.025 (2)0.027 (2)0.0035 (18)0.0088 (17)0.0064 (17)
Cu40.028 (2)0.022 (2)0.035 (2)0.0008 (18)0.0137 (18)0.0041 (18)
As10.0135 (14)0.0105 (15)0.0146 (14)0.0009 (12)0.0049 (12)0.0002 (12)
Er0.0222 (7)0.0213 (8)0.0234 (7)0.0028 (6)0.0093 (6)0.0012 (6)
W10.0199 (6)0.0204 (7)0.0230 (7)0.0023 (6)0.0060 (5)0.0030 (6)
W20.0233 (6)0.0216 (7)0.0197 (6)0.0003 (6)0.0078 (5)0.0007 (5)
W30.0184 (6)0.0214 (7)0.0224 (7)0.0019 (6)0.0069 (5)0.0006 (5)
W40.0200 (6)0.0219 (7)0.0181 (6)0.0006 (6)0.0058 (5)0.0017 (5)
W50.0198 (6)0.0176 (7)0.0239 (7)0.0001 (6)0.0071 (5)0.0002 (5)
W60.0234 (6)0.0185 (7)0.0221 (7)0.0018 (6)0.0103 (5)0.0014 (5)
W70.0219 (6)0.0210 (7)0.0220 (7)0.0033 (6)0.0089 (5)0.0002 (5)
W80.0203 (6)0.0187 (7)0.0236 (7)0.0001 (6)0.0069 (5)0.0006 (6)
W90.0208 (6)0.0202 (7)0.0216 (7)0.0046 (6)0.0076 (5)0.0014 (6)
W100.0200 (6)0.0149 (7)0.0222 (7)0.0009 (5)0.0079 (5)0.0008 (5)
W110.0206 (6)0.0172 (7)0.0221 (7)0.0020 (5)0.0083 (5)0.0008 (5)
Geometric parameters (Å, º) top
C1—C21.37 (4)O10—K23.05 (2)
C1—N11.33 (3)O11—W11.932 (18)
C2—C31.37 (4)O11—W81.944 (18)
C3—C41.37 (4)O11—K22.87 (2)
C4—C51.38 (4)O12—W11.874 (16)
C4—C121.40 (4)O12—W92.033 (17)
C5—C61.25 (4)O13—W41.743 (17)
C6—C71.45 (4)O14—W41.967 (17)
C7—C81.42 (4)O14—W51.908 (16)
C7—C111.38 (4)O15—W51.726 (18)
C8—C91.34 (4)O16—W51.911 (15)
C9—C101.41 (4)O16—W61.928 (15)
C10—N21.37 (3)O17—W61.720 (17)
C11—C121.42 (4)O18—W61.947 (17)
C11—N21.35 (3)O18—W71.929 (17)
C12—N11.39 (3)O19—W71.658 (18)
C13—C141.43 (4)O20—W71.968 (17)
C13—N31.33 (3)O20—W81.857 (16)
C14—C151.38 (4)O20—K23.08 (2)
C15—C161.40 (4)O21—W81.728 (17)
C16—C171.45 (4)O23—W81.908 (16)
C16—C241.36 (4)O23—W91.960 (17)
C17—C181.39 (4)O23—K1ii3.094 (19)
C18—C191.34 (4)O24—W91.708 (16)
C19—C201.38 (5)O25—W41.948 (16)
C19—C231.46 (4)O25—W91.896 (16)
C20—C211.29 (4)O26—As11.684 (17)
C21—C221.40 (4)O26—W12.419 (17)
C22—N41.39 (4)O26—W82.348 (17)
C23—C241.50 (4)O26—W92.374 (16)
C23—N41.36 (4)O27—As11.654 (16)
C24—N31.42 (3)O27—W32.425 (16)
C25—C261.36 (3)O27—W42.381 (15)
C25—N51.33 (3)O27—W52.378 (16)
C26—C271.33 (3)O28—As11.647 (15)
C27—C281.33 (3)O28—W22.406 (16)
C28—C291.47 (4)O28—W62.361 (16)
C28—C361.45 (3)O28—W72.397 (16)
C29—C301.36 (4)O29—As11.653 (17)
C30—C311.40 (3)O29—W102.334 (17)
C31—C321.44 (4)O29—W112.335 (17)
C31—C351.49 (3)O30—W51.906 (18)
C32—C331.34 (4)O30—W111.938 (18)
C33—C341.38 (3)O31—W61.840 (17)
C34—N61.38 (3)O31—W112.036 (17)
C35—C361.38 (3)O32—W71.860 (18)
C35—N61.38 (3)O32—W102.010 (17)
C36—N51.40 (3)O33—W81.909 (16)
C37—C381.39 (3)O33—W101.946 (16)
C37—N71.33 (3)O33—K1ii3.020 (17)
C38—C391.36 (3)O34—Er2.323 (17)
C39—C401.34 (4)O34—W91.764 (17)
C40—C411.44 (4)O34—K1ii3.043 (19)
C40—C481.48 (4)O35—Er2.251 (17)
C41—C421.26 (4)O35—W41.806 (16)
C42—C431.51 (3)O36—W101.710 (17)
C43—C441.43 (4)O37—Er2.330 (15)
C43—C471.40 (3)O37—W101.769 (15)
C44—C451.35 (3)O37—K1ii2.965 (18)
C45—C461.36 (3)O38—Er2.327 (15)
C46—N81.32 (3)O38—W111.772 (15)
C47—C481.42 (4)O39—Cu12.262 (18)
C47—N81.36 (3)O39—W111.738 (17)
C48—N71.34 (3)O40—W101.961 (17)
C49—C501.52 (3)O40—W111.915 (17)
C49—O451.25 (3)O41—Er2.389 (17)
C49—O461.25 (3)O42—Erii2.454 (16)
C50—K1i3.41 (3)O42—Er2.384 (17)
C51—C521.50 (4)O42—C2AA1.31 (3)
C51—O431.31 (4)O43—Cu11.935 (19)
C51—O441.22 (4)O44—Cu21.97 (2)
C53—C1AA1.51 (4)O45—Cu21.932 (18)
C53—O481.29 (3)O45—K1i2.893 (19)
C53—O491.24 (3)O46—Cu11.94 (2)
C55—C561.50 (3)O47—Cu22.22 (2)
C55—O501.22 (3)O47—K1i2.93 (2)
C55—O511.25 (3)O48—Cu31.935 (16)
N1—Cu11.94 (2)O48—K23.03 (2)
N2—Cu11.98 (2)O49—Cu41.938 (17)
N3—Cu21.95 (2)O50—Cu31.947 (18)
N4—Cu22.04 (2)O51—Cu41.992 (18)
N5—Cu31.994 (19)O52—Cu42.26 (2)
N6—Cu31.96 (2)C54—C2AA1.55 (4)
N7—Cu41.96 (2)O55—K1iii2.98 (3)
N8—Cu42.01 (2)Cu1—Cu23.039 (5)
O1—Cu32.33 (2)Cu2—K1i3.995 (8)
O1—W11.727 (19)Cu3—Cu42.988 (5)
O1AA—W21.714 (18)Er—O0AAii2.420 (19)
O3—W31.734 (17)Er—C2AAii2.84 (3)
O4—W21.920 (16)Er—K1ii4.000 (8)
O4—W31.922 (15)W1—K23.803 (14)
O5—W11.979 (17)W2—K23.794 (14)
O5—W21.848 (18)W7—K24.047 (14)
O5—K22.89 (2)W8—K1ii3.944 (8)
O6—W11.904 (17)W8—K23.909 (14)
O6—W31.946 (17)W9—K1ii3.945 (8)
O7—W31.872 (17)W10—K1ii3.841 (8)
O7—W42.009 (18)O0AA—C2AA1.24 (3)
O8—W31.886 (17)O0AA—K12.74 (2)
O8—W51.966 (17)K1—O3AAi2.87 (2)
O9—W21.916 (17)K2—O7AA3.04 (4)
O9—W62.000 (17)K2—O8AA3.04 (6)
O10—W21.934 (17)K2—O0BAiv2.82 (4)
O10—W71.939 (17)
N1—C1—C2120 (3)O12—W1—O2671.7 (6)
C1—C2—C3124 (3)O12—W1—K2135.4 (6)
C2—C3—C4118 (3)O26—W1—K296.1 (4)
C3—C4—C5126 (3)O1AA—W2—O4103.1 (8)
C3—C4—C12117 (3)O1AA—W2—O5102.6 (8)
C5—C4—C12116 (3)O1AA—W2—O9100.7 (8)
C6—C5—C4125 (3)O1AA—W2—O10102.3 (8)
C5—C6—C7123 (3)O1AA—W2—O28171.5 (7)
C8—C7—C6126 (3)O1AA—W2—K283.1 (6)
C11—C7—C6114 (3)O4—W2—O10154.6 (7)
C11—C7—C8120 (3)O4—W2—O2882.8 (6)
C9—C8—C7114 (3)O4—W2—K2131.7 (5)
C8—C9—C10127 (3)O5—W2—O484.7 (7)
N2—C10—C9118 (3)O5—W2—O9156.4 (8)
C7—C11—C12122 (3)O5—W2—O1090.6 (8)
N2—C11—C7124 (3)O5—W2—O2883.8 (7)
N2—C11—C12114 (3)O5—W2—K247.8 (6)
C4—C12—C11119 (3)O9—W2—O486.7 (7)
N1—C12—C4123 (3)O9—W2—O1087.9 (7)
N1—C12—C11117 (3)O9—W2—O2873.3 (6)
N3—C13—C14127 (3)O9—W2—K2140.0 (5)
C15—C14—C13114 (3)O10—W2—O2871.9 (6)
C14—C15—C16125 (3)O10—W2—K252.9 (6)
C15—C16—C17126 (3)O28—W2—K297.6 (4)
C24—C16—C15114 (3)O3—W3—O4103.6 (7)
C24—C16—C17120 (3)O3—W3—O6102.4 (8)
C18—C17—C16115 (3)O3—W3—O7101.7 (8)
C19—C18—C17132 (4)O3—W3—O899.7 (8)
C18—C19—C20134 (4)O3—W3—O27169.2 (7)
C18—C19—C23111 (3)O4—W3—O685.3 (7)
C20—C19—C23114 (3)O4—W3—O2784.1 (6)
C21—C20—C19121 (4)O6—W3—O2785.5 (6)
C20—C21—C22127 (4)O7—W3—O4154.6 (8)
N4—C22—C21116 (3)O7—W3—O687.4 (7)
C19—C23—C24121 (3)O7—W3—O889.5 (7)
N4—C23—C19124 (3)O7—W3—O2771.1 (7)
N4—C23—C24115 (3)O8—W3—O488.2 (7)
C16—C24—C23119 (3)O8—W3—O6157.8 (7)
C16—C24—N3128 (3)O8—W3—O2772.7 (6)
N3—C24—C23112 (3)O7—W4—O2770.1 (6)
N5—C25—C26122 (2)O13—W4—O798.9 (8)
C27—C26—C25122 (3)O13—W4—O14100.3 (8)
C26—C27—C28121 (3)O13—W4—O25103.9 (7)
C27—C28—C29129 (3)O13—W4—O27166.2 (7)
C27—C28—C36118 (2)O13—W4—O35105.3 (8)
C36—C28—C29112 (2)O14—W4—O783.4 (7)
C30—C29—C28125 (3)O14—W4—O2770.9 (6)
C29—C30—C31122 (3)O25—W4—O784.6 (7)
C30—C31—C32129 (3)O25—W4—O14154.3 (6)
C30—C31—C35116 (2)O25—W4—O2783.6 (6)
C32—C31—C35114 (2)O35—W4—O7155.8 (7)
C33—C32—C31121 (3)O35—W4—O1491.9 (7)
C32—C33—C34123 (3)O35—W4—O2589.9 (7)
N6—C34—C33121 (2)O35—W4—O2785.9 (6)
C36—C35—C31121 (2)O8—W5—O2772.6 (6)
C36—C35—N6117 (2)O14—W5—O886.7 (7)
N6—C35—C31121 (2)O14—W5—O16158.0 (7)
C35—C36—C28123 (2)O14—W5—O2771.9 (6)
C35—C36—N5117 (2)O15—W5—O899.2 (8)
N5—C36—C28119 (2)O15—W5—O14100.7 (8)
N7—C37—C38130 (3)O15—W5—O16101.0 (7)
C39—C38—C37116 (3)O15—W5—O27169.0 (7)
C40—C39—C38122 (3)O15—W5—O30105.8 (8)
C39—C40—C41128 (3)O16—W5—O886.3 (7)
C39—C40—C48115 (3)O16—W5—O2786.1 (6)
C41—C40—C48116 (3)O30—W5—O8154.7 (7)
C42—C41—C40126 (3)O30—W5—O1492.1 (7)
C41—C42—C43122 (3)O30—W5—O1685.4 (7)
C44—C43—C42127 (3)O30—W5—O2783.0 (7)
C47—C43—C42114 (3)O9—W6—O2873.0 (6)
C47—C43—C44119 (3)O16—W6—O989.1 (7)
C45—C44—C43117 (3)O16—W6—O18159.0 (7)
C44—C45—C46121 (3)O16—W6—O2886.2 (6)
N8—C46—C45123 (3)O17—W6—O998.1 (7)
C43—C47—C48126 (3)O17—W6—O16103.1 (7)
N8—C47—C43119 (3)O17—W6—O1897.8 (7)
N8—C47—C48114 (2)O17—W6—O28167.2 (7)
C47—C48—C40116 (3)O17—W6—O31105.3 (8)
N7—C48—C40126 (3)O18—W6—O985.5 (7)
N7—C48—C47117 (2)O18—W6—O2872.9 (6)
O45—C49—C50117 (2)O31—W6—O9156.6 (7)
O45—C49—O46124 (3)O31—W6—O1686.7 (7)
O46—C49—C50119 (3)O31—W6—O1890.3 (7)
C49—C50—K1i84.4 (16)O31—W6—O2883.8 (7)
O43—C51—C52114 (3)O10—W7—O2087.3 (7)
O44—C51—C52118 (3)O10—W7—O2872.0 (6)
O44—C51—O43128 (3)O10—W7—K246.2 (6)
O48—C53—C1AA118 (3)O18—W7—O1084.5 (7)
O49—C53—C1AA116 (3)O18—W7—O20155.6 (7)
O49—C53—O48125 (3)O18—W7—O2872.3 (6)
O50—C55—C56120 (3)O18—W7—K2130.6 (5)
O50—C55—O51122 (2)O19—W7—O10100.4 (8)
O51—C55—C56117 (2)O19—W7—O1899.5 (8)
C1—N1—C12117 (2)O19—W7—O20104.7 (8)
C1—N1—Cu1130 (2)O19—W7—O28169.0 (7)
C12—N1—Cu1112.3 (19)O19—W7—O32104.8 (8)
C10—N2—Cu1128.1 (19)O19—W7—K288.6 (7)
C11—N2—C10117 (2)O20—W7—O2883.3 (6)
C11—N2—Cu1114.3 (19)O20—W7—K247.4 (5)
C13—N3—C24112 (2)O28—W7—K291.4 (4)
C13—N3—Cu2131 (2)O32—W7—O10154.8 (7)
C24—N3—Cu2116.9 (19)O32—W7—O1891.5 (7)
C22—N4—Cu2127 (2)O32—W7—O2086.2 (7)
C23—N4—C22118 (3)O32—W7—O2883.0 (7)
C23—N4—Cu2115 (2)O32—W7—K2133.6 (6)
C25—N5—C36118 (2)O11—W8—O2672.8 (7)
C25—N5—Cu3132.9 (17)O11—W8—K1ii137.7 (5)
C36—N5—Cu3109.4 (15)O11—W8—K244.6 (5)
C34—N6—C35119 (2)O20—W8—O1187.9 (7)
C34—N6—Cu3129.5 (19)O20—W8—O23156.6 (7)
C35—N6—Cu3111.3 (17)O20—W8—O2686.0 (6)
C37—N7—C48111 (2)O20—W8—O3385.1 (7)
C37—N7—Cu4136.1 (18)O20—W8—K1ii132.4 (5)
C48—N7—Cu4112.7 (18)O20—W8—K250.3 (6)
C46—N8—C47120 (2)O21—W8—O11100.3 (8)
C46—N8—Cu4128.0 (19)O21—W8—O20103.4 (7)
C47—N8—Cu4112.2 (18)O21—W8—O23100.0 (7)
W1—O1—Cu3134.3 (10)O21—W8—O26168.3 (7)
W2—O4—W3153.3 (10)O21—W8—O33104.0 (7)
W1—O5—K2100.9 (8)O21—W8—K1ii84.0 (6)
W2—O5—W1154.5 (11)O21—W8—K286.4 (6)
W2—O5—K2104.1 (7)O23—W8—O1187.8 (7)
W1—O6—W3150.4 (9)O23—W8—O2670.7 (6)
W3—O7—W4126.5 (9)O23—W8—O3389.3 (7)
W3—O8—W5124.3 (9)O23—W8—K1ii50.2 (5)
W2—O9—W6121.9 (9)O23—W8—K2132.2 (6)
W2—O10—W7124.8 (9)O26—W8—K1ii94.8 (4)
W2—O10—K296.7 (7)O26—W8—K294.6 (4)
W7—O10—K2106.4 (7)O33—W8—O11155.7 (7)
W1—O11—W8124.0 (10)O33—W8—O2683.5 (6)
W1—O11—K2103.0 (8)O33—W8—K1ii48.0 (5)
W8—O11—K2107.0 (7)O33—W8—K2135.4 (5)
W1—O12—W9125.2 (8)K2—W8—K1ii170.4 (2)
W5—O14—W4124.7 (9)O12—W9—O2670.3 (6)
W5—O16—W6149.4 (9)O12—W9—K1ii132.8 (5)
W7—O18—W6123.2 (8)O23—W9—O1282.6 (7)
W7—O20—K2104.6 (7)O23—W9—O2669.3 (6)
W8—O20—W7151.6 (10)O23—W9—K1ii50.5 (5)
W8—O20—K2102.0 (7)O24—W9—O1297.1 (7)
W8—O23—W9126.1 (9)O24—W9—O23100.8 (7)
W8—O23—K1ii101.5 (7)O24—W9—O25103.7 (7)
W9—O23—K1ii100.2 (6)O24—W9—O26164.5 (7)
W9—O25—W4143.7 (9)O24—W9—O34104.5 (8)
As1—O26—W1124.8 (9)O24—W9—K1ii87.8 (6)
As1—O26—W8122.8 (8)O25—W9—O1283.6 (7)
As1—O26—W9122.3 (8)O25—W9—O23153.1 (7)
W8—O26—W191.7 (6)O25—W9—O2684.3 (6)
W8—O26—W993.8 (6)O25—W9—K1ii140.8 (5)
W9—O26—W192.8 (6)O26—W9—K1ii94.3 (4)
As1—O27—W3125.4 (8)O34—W9—O12158.3 (7)
As1—O27—W4124.1 (8)O34—W9—O2391.0 (7)
As1—O27—W5122.8 (8)O34—W9—O2593.4 (7)
W4—O27—W392.3 (5)O34—W9—O2688.1 (7)
W5—O27—W390.3 (6)O34—W9—K1ii47.5 (6)
W5—O27—W492.3 (6)O29—W10—K1ii97.8 (4)
As1—O28—W2126.5 (8)O32—W10—O2982.4 (6)
As1—O28—W6123.1 (8)O32—W10—K1ii132.2 (5)
As1—O28—W7123.0 (8)O33—W10—O2984.8 (6)
W6—O28—W291.8 (5)O33—W10—O3281.8 (7)
W6—O28—W791.5 (5)O33—W10—O40154.3 (7)
W7—O28—W291.3 (5)O33—W10—K1ii50.9 (5)
As1—O29—W10123.7 (9)O36—W10—O29172.3 (7)
As1—O29—W11124.7 (9)O36—W10—O3296.9 (7)
W10—O29—W1193.0 (6)O36—W10—O33102.8 (7)
W5—O30—W11156.4 (10)O36—W10—O37103.0 (7)
W6—O31—W11153.9 (10)O36—W10—O40100.4 (7)
W7—O32—W10153.9 (10)O36—W10—K1ii88.3 (6)
W8—O33—W10155.5 (9)O37—W10—O2978.0 (6)
W8—O33—K1ii104.0 (6)O37—W10—O32160.0 (7)
W10—O33—K1ii99.1 (6)O37—W10—O3392.1 (7)
Er—O34—K1ii95.4 (6)O37—W10—O4093.3 (7)
W9—O34—Er157.3 (10)O37—W10—K1ii48.0 (5)
W9—O34—K1ii107.3 (7)O40—W10—O2971.9 (6)
W4—O35—Er162.0 (9)O40—W10—O3284.6 (7)
Er—O37—K1ii97.4 (5)O40—W10—K1ii141.2 (5)
W10—O37—Er134.4 (8)O30—W11—O2983.0 (7)
W10—O37—K1ii105.7 (7)O30—W11—O3181.2 (7)
W11—O38—Er133.5 (8)O31—W11—O2982.5 (6)
W11—O39—Cu1147.3 (9)O38—W11—O2978.8 (6)
W11—O40—W10121.9 (8)O38—W11—O3090.4 (7)
Er—O42—Erii115.0 (7)O38—W11—O31160.3 (7)
C2AA—O42—Erii92.9 (15)O38—W11—O4093.8 (7)
C2AA—O42—Er131.3 (16)O39—W11—O29172.3 (7)
C51—O43—Cu1123 (2)O39—W11—O30104.5 (8)
C51—O44—Cu2129 (2)O39—W11—O3196.5 (7)
C49—O45—Cu2131.3 (18)O39—W11—O38102.9 (7)
C49—O45—K1i114.4 (16)O39—W11—O4099.7 (8)
Cu2—O45—K1i110.2 (8)O40—W11—O2972.6 (6)
C49—O46—Cu1126.5 (19)O40—W11—O30153.8 (7)
Cu2—O47—K1i101.0 (8)O40—W11—O3186.4 (7)
C53—O48—Cu3126.0 (17)Erii—O0AA—K1101.3 (7)
C53—O48—K2111.2 (16)C2AA—O0AA—Erii96.5 (17)
Cu3—O48—K2122.3 (8)C2AA—O0AA—K1122.3 (18)
C53—O49—Cu4127.0 (19)O42—C2AA—C54120 (2)
C55—O50—Cu3126.3 (19)O42—C2AA—Erii59.7 (13)
C55—O51—Cu4131.5 (18)C54—C2AA—Erii178 (2)
N1—Cu1—N282.6 (9)O0AA—C2AA—O42117 (2)
N1—Cu1—O3991.0 (8)O0AA—C2AA—C54122 (3)
N1—Cu1—Cu2101.8 (7)O0AA—C2AA—Erii57.9 (14)
N2—Cu1—O39105.7 (8)C50i—K1—W8ii71.7 (5)
N2—Cu1—Cu284.4 (6)C50i—K1—W10ii119.1 (5)
O39—Cu1—Cu2164.8 (4)O23ii—K1—C50i71.0 (6)
O43—Cu1—N1174.6 (9)O23ii—K1—W8ii28.3 (3)
O43—Cu1—N292.6 (9)O23ii—K1—W10ii78.4 (4)
O43—Cu1—O3988.2 (8)O33ii—K1—C50i93.6 (6)
O43—Cu1—O4692.0 (8)O33ii—K1—O23ii52.0 (4)
O43—Cu1—Cu279.9 (6)O33ii—K1—O34ii65.1 (4)
O46—Cu1—N193.3 (9)O33ii—K1—W8ii28.0 (3)
O46—Cu1—N2161.0 (9)O33ii—K1—W10ii30.0 (3)
O46—Cu1—O3992.9 (8)O34ii—K1—C50i120.2 (6)
O46—Cu1—Cu278.2 (6)O34ii—K1—O23ii51.4 (5)
N3—Cu2—N481.3 (10)O34ii—K1—W8ii65.2 (3)
N3—Cu2—O44161.7 (9)O34ii—K1—W10ii67.7 (3)
N3—Cu2—O47102.0 (9)O37ii—K1—C50i145.4 (6)
N3—Cu2—Cu189.1 (7)O37ii—K1—O23ii91.0 (5)
N3—Cu2—K1i101.1 (7)O37ii—K1—O33ii53.1 (4)
N4—Cu2—O4789.2 (9)O37ii—K1—O34ii58.8 (5)
N4—Cu2—Cu1107.0 (7)O37ii—K1—O55v126.2 (6)
N4—Cu2—K1i134.9 (7)O37ii—K1—W8ii78.6 (3)
O44—Cu2—N492.0 (9)O37ii—K1—W10ii26.3 (3)
O44—Cu2—O4794.8 (8)O45i—K1—C50i43.0 (6)
O44—Cu2—Cu176.6 (6)O45i—K1—O23ii95.9 (5)
O44—Cu2—K1i95.7 (6)O45i—K1—O33ii82.0 (5)
O45—Cu2—N394.4 (9)O45i—K1—O34ii143.3 (5)
O45—Cu2—N4174.8 (9)O45i—K1—O37ii114.0 (5)
O45—Cu2—O4493.0 (8)O45i—K1—O47i60.0 (6)
O45—Cu2—O4788.8 (8)O45i—K1—O55v69.7 (6)
O45—Cu2—Cu175.7 (6)O45i—K1—W8ii78.1 (4)
O45—Cu2—K1i42.8 (6)O45i—K1—W10ii92.2 (4)
O47—Cu2—Cu1161.7 (6)O47i—K1—C50i102.3 (7)
O47—Cu2—K1i46.0 (6)O47i—K1—O23ii134.1 (6)
Cu1—Cu2—K1i117.96 (17)O47i—K1—O33ii84.4 (5)
N5—Cu3—O186.0 (7)O47i—K1—O34ii127.7 (6)
N5—Cu3—Cu498.1 (6)O47i—K1—O37ii68.9 (6)
N6—Cu3—N584.4 (9)O47i—K1—O55v69.2 (6)
N6—Cu3—O193.3 (8)O47i—K1—W8ii105.8 (5)
N6—Cu3—Cu494.6 (7)O47i—K1—W10ii65.4 (5)
O1—Cu3—Cu4171.4 (5)O55v—K1—C50i75.9 (7)
O48—Cu3—N591.8 (7)O55v—K1—O23ii142.8 (6)
O48—Cu3—N6170.9 (9)O55v—K1—O33ii148.2 (6)
O48—Cu3—O194.7 (7)O55v—K1—O34ii145.9 (6)
O48—Cu3—O5090.5 (7)O55v—K1—W8ii145.3 (5)
O48—Cu3—Cu477.7 (5)O55v—K1—W10ii134.2 (5)
O50—Cu3—N5176.4 (8)W10ii—K1—W8ii57.84 (11)
O50—Cu3—N692.9 (9)O0AA—K1—C50i150.4 (6)
O50—Cu3—O196.7 (7)O0AA—K1—O23ii110.0 (6)
O50—Cu3—Cu479.6 (6)O0AA—K1—O33ii110.4 (6)
N7—Cu4—N882.1 (9)O0AA—K1—O34ii60.1 (5)
N7—Cu4—O51162.1 (8)O0AA—K1—O37ii63.0 (5)
N7—Cu4—O52106.2 (9)O0AA—K1—O45i153.8 (6)
N7—Cu4—Cu388.5 (6)O0AA—K1—O47i97.2 (6)
N8—Cu4—O5297.3 (9)O0AA—K1—O55v90.8 (6)
N8—Cu4—Cu395.7 (6)O0AA—K1—W8ii123.7 (5)
O49—Cu4—N790.7 (8)O0AA—K1—W10ii89.1 (4)
O49—Cu4—N8170.7 (8)O0AA—K1—O3AAi86.4 (6)
O49—Cu4—O5192.4 (7)O3AAi—K1—C50i65.6 (6)
O49—Cu4—O5290.3 (8)O3AAi—K1—O23ii71.1 (6)
O49—Cu4—Cu378.2 (5)O3AAi—K1—O33ii123.1 (6)
O51—Cu4—N892.7 (8)O3AAi—K1—O34ii80.5 (6)
O51—Cu4—O5291.4 (8)O3AAi—K1—O37ii137.1 (6)
O51—Cu4—Cu374.9 (5)O3AAi—K1—O45i106.5 (6)
O52—Cu4—Cu3161.5 (6)O3AAi—K1—O47i149.1 (7)
O27—As1—O26106.8 (8)O3AAi—K1—O55v80.2 (7)
O28—As1—O26108.1 (8)O3AAi—K1—W8ii97.2 (5)
O28—As1—O27108.5 (8)O3AAi—K1—W10ii145.5 (5)
O28—As1—O29111.4 (8)O5—K2—O1053.7 (5)
O29—As1—O26111.3 (8)O5—K2—O2064.3 (6)
O29—As1—O27110.7 (8)O5—K2—O4898.2 (6)
O34—Er—O3778.7 (6)O5—K2—W130.7 (4)
O34—Er—O38126.4 (5)O5—K2—W228.2 (4)
O34—Er—O41144.1 (6)O5—K2—W764.5 (4)
O34—Er—O42ii78.3 (6)O5—K2—W865.8 (4)
O34—Er—O42130.0 (6)O5—K2—O7AA100.3 (9)
O34—Er—O0AAii75.6 (6)O5—K2—O8AA147.9 (12)
O34—Er—C2AAii73.1 (7)O10—K2—O2052.3 (5)
O34—Er—K1ii49.2 (4)O10—K2—W180.9 (4)
O35—Er—O3471.8 (6)O10—K2—W230.4 (3)
O35—Er—O37124.8 (6)O10—K2—W727.4 (3)
O35—Er—O3882.2 (6)O10—K2—W876.9 (4)
O35—Er—O41144.0 (6)O11—K2—O554.8 (6)
O35—Er—O42ii88.9 (6)O11—K2—O1090.2 (6)
O35—Er—O4274.7 (6)O11—K2—O2052.6 (5)
O35—Er—O0AAii133.9 (6)O11—K2—O4861.1 (5)
O35—Er—C2AAii111.7 (7)O11—K2—W129.7 (4)
O35—Er—K1ii120.9 (4)O11—K2—W279.6 (5)
O37—Er—O4177.5 (6)O11—K2—W777.2 (5)
O37—Er—O42151.2 (6)O11—K2—W828.4 (4)
O37—Er—O42ii129.3 (6)O11—K2—O7AA144.7 (10)
O37—Er—O0AAii77.9 (6)O11—K2—O8AA130.0 (12)
O37—Er—C2AAii102.4 (7)O20—K2—W166.9 (4)
O37—Er—K1ii47.3 (4)O20—K2—W266.3 (4)
O38—Er—O3779.3 (5)O20—K2—W728.1 (3)
O38—Er—O4174.4 (6)O20—K2—W827.7 (3)
O38—Er—O42ii148.3 (5)O48—K2—O10149.6 (7)
O38—Er—O4283.4 (5)O48—K2—O20108.4 (6)
O38—Er—O0AAii143.8 (6)O48—K2—W169.2 (4)
O38—Er—C2AAii159.9 (7)O48—K2—W2125.5 (5)
O38—Er—K1ii126.4 (4)O48—K2—W7136.3 (5)
O41—Er—O42ii96.8 (6)O48—K2—W880.7 (4)
O41—Er—O0AAii73.4 (6)O48—K2—O7AA154.1 (10)
O41—Er—C2AAii86.3 (7)O48—K2—O8AA70.1 (11)
O41—Er—K1ii95.1 (4)W1—K2—W781.5 (3)
O42—Er—O4175.7 (6)W1—K2—W852.67 (18)
O42—Er—O42ii65.0 (7)W2—K2—W158.9 (2)
O42—Er—O0AAii104.2 (6)W2—K2—W751.81 (18)
O42—Er—C2AAii86.4 (7)W2—K2—W880.8 (3)
O42ii—Er—C2AAii27.4 (6)W8—K2—W755.54 (19)
O42ii—Er—K1ii84.1 (4)O7AA—K2—O1054.9 (9)
O42—Er—K1ii145.9 (4)O7AA—K2—O2095.9 (9)
O0AAii—Er—O42ii52.8 (6)O7AA—K2—W1131.0 (9)
O0AAii—Er—C2AAii25.6 (6)O7AA—K2—W272.2 (8)
O0AAii—Er—K1ii42.3 (5)O7AA—K2—W768.8 (8)
C2AAii—Er—K1ii59.9 (6)O7AA—K2—W8123.5 (9)
O1—W1—O5102.9 (8)O8AA—K2—O10139.6 (11)
O1—W1—O6103.5 (8)O8AA—K2—O20147.2 (12)
O1—W1—O1198.9 (8)O8AA—K2—W1134.5 (11)
O1—W1—O12102.6 (8)O8AA—K2—W2142.6 (11)
O1—W1—O26168.5 (8)O8AA—K2—W7143.7 (11)
O1—W1—K280.8 (6)O8AA—K2—W8136.5 (11)
O5—W1—O2682.8 (6)O8AA—K2—O7AA84.8 (13)
O5—W1—K248.4 (6)O0BAiv—K2—O571.0 (8)
O6—W1—O584.8 (7)O0BAiv—K2—O1098.8 (9)
O6—W1—O11157.1 (8)O0BAiv—K2—O11102.5 (8)
O6—W1—O2686.9 (6)O0BAiv—K2—O20135.3 (9)
O6—W1—K2131.9 (5)O0BAiv—K2—O4879.6 (8)
O11—W1—O585.4 (7)O0BAiv—K2—W176.2 (7)
O11—W1—O2671.3 (7)O0BAiv—K2—W273.5 (7)
O11—W1—K247.4 (6)O0BAiv—K2—W7124.8 (8)
O12—W1—O5154.3 (7)O0BAiv—K2—W8128.8 (8)
O12—W1—O691.2 (7)O0BAiv—K2—O7AA89.6 (11)
O12—W1—O1188.7 (7)O0BAiv—K2—O8AA77.4 (13)
Symmetry codes: (i) x+1/2, y+3/2, z+1/2; (ii) x+1/2, y+1/2, z+1/2; (iii) x, y1, z; (iv) x, y, z; (v) x, y+1, z.
 

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