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The title compound, [Cu2Mo12O40P(C12H8N2)4], was obtained by the hydro­thermal reaction of Na2MoO4·2H2O, Cu(CH3COO)2·H2O, NH4VO3, 1,10-phenanthroline (phen) and H3PO4. The structure determination shows that two {Cu(phen)2} fragments are supported by the reduced α-Keggin polyoxoanion [PMoVI11MoVO40]4− through a terminal O atom and a bridging oxygen atom from opposite sides of the Keggin structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806002832/bv6038sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806002832/bv6038Isup2.hkl
Contains datablock I

CCDC reference: 271999

Key indicators

  • Single-crystal X-ray study
  • T = 283 K
  • Mean [sigma](C-C) = 0.017 Å
  • R factor = 0.052
  • wR factor = 0.127
  • Data-to-parameter ratio = 11.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O16 .. O37 .. 2.78 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact O1 .. C32 .. 2.91 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact O25 .. C11 .. 2.90 Ang.
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT213_ALERT_2_C Atom N7 has ADP max/min Ratio ............. 3.10 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.20 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo9 - O36 .. 5.61 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo10 - O37 .. 5.67 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 17 PLAT432_ALERT_2_C Short Inter X...Y Contact O8 .. C46 .. 3.00 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O15 .. C41 .. 2.99 Ang.
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL022_ALERT_1_A There is a mismatched ~ on line 117 [Cu~2~Mo~12~O~40~P~(C~12~H~8~N~2~)~4~], If you require a ~ then it should be escaped with a \, i.e. \~ Otherwise there must be a matching closing ~, e.g. C~2~H~4~
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: CrystalStructure (Rigaku/MSC, 2002); software used to prepare material for publication: CrystalStructure.

µ-hexatriacontaoxophosphatododecamolybdenum-[bis(1,10- phenanthroline)copper(II)] top
Crystal data top
[Cu2Mo12O40P(C12H8N2)4F(000) = 5092
Mr = 2670.15Dx = 2.683 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 25.975 (5) ÅCell parameters from 48954 reflections
b = 11.545 (2) Åθ = 3.1–25.0°
c = 23.286 (5) ŵ = 2.95 mm1
β = 108.81 (3)°T = 283 K
V = 6610 (2) Å3Block, black
Z = 40.22 × 0.16 × 0.14 mm
Data collection top
Rigaku R-AXIS RAPID IP
diffractometer
11597 independent reflections
Radiation source: Rotation anode7806 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.090
Detector resolution: 0.01 pixels mm-1θmax = 25.0°, θmin = 3.1°
ω scansh = 3030
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1313
Tmin = 0.573, Tmax = 0.661l = 2725
48954 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.127H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0552P)2 + 18.0365P]
where P = (Fo2 + 2Fc2)/3
11597 reflections(Δ/σ)max = 0.010
1000 parametersΔρmax = 1.48 e Å3
0 restraintsΔρmin = 1.03 e Å3
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mo10.35354 (3)0.33386 (8)0.11082 (4)0.0272 (2)
Mo20.38382 (3)0.64115 (9)0.08894 (4)0.0281 (2)
Mo30.15007 (3)0.69028 (8)0.08883 (4)0.0260 (2)
Mo40.28891 (3)0.57006 (9)0.17307 (4)0.0276 (2)
Mo50.16634 (3)0.45221 (8)0.09954 (4)0.0276 (2)
Mo60.31738 (3)0.29191 (8)0.04162 (4)0.0281 (2)
Mo70.19094 (3)0.73757 (8)0.07594 (4)0.0285 (2)
Mo80.20929 (3)0.47369 (8)0.14363 (4)0.0267 (2)
Mo90.34356 (3)0.60011 (9)0.06296 (4)0.0295 (2)
Mo100.22901 (4)0.22186 (8)0.03481 (4)0.0296 (2)
Mo110.28596 (4)0.81197 (8)0.00372 (4)0.0287 (2)
Mo120.12324 (3)0.40881 (9)0.06598 (4)0.0292 (2)
Cu10.39962 (5)0.26185 (12)0.13265 (6)0.0307 (3)
Cu20.09855 (4)0.70159 (11)0.14721 (5)0.0246 (3)
P10.25302 (8)0.5187 (2)0.01454 (10)0.0150 (5)
O10.4441 (2)0.6824 (6)0.1371 (3)0.0291 (16)
O20.2326 (2)0.5536 (5)0.0667 (3)0.0174 (13)
O30.2969 (2)0.6045 (5)0.0118 (2)0.0150 (13)
O40.1611 (3)0.8519 (6)0.0962 (3)0.0316 (17)
O50.1063 (3)0.7917 (6)0.1265 (3)0.0311 (16)
O60.2050 (2)0.5211 (5)0.0445 (2)0.0163 (13)
O70.3412 (2)0.6335 (6)0.1421 (3)0.0210 (14)
O80.3199 (3)0.5800 (7)0.2471 (3)0.0302 (17)
O90.1482 (2)0.6167 (6)0.1012 (3)0.0225 (15)
O100.2002 (3)0.4560 (6)0.2176 (3)0.0315 (17)
O110.1466 (2)0.3997 (5)0.1365 (3)0.0194 (14)
O120.2977 (2)0.2172 (5)0.0967 (3)0.0207 (14)
O130.1717 (2)0.2875 (6)0.0309 (3)0.0235 (15)
O140.1676 (2)0.6192 (6)0.1514 (3)0.0195 (14)
O150.2260 (2)0.4828 (6)0.1709 (3)0.0204 (14)
O160.2889 (3)0.9530 (6)0.0143 (3)0.0301 (16)
O170.4052 (2)0.2691 (6)0.1645 (3)0.0293 (16)
O180.2461 (2)0.7020 (6)0.1547 (3)0.0206 (14)
O190.2043 (3)0.0906 (6)0.0421 (3)0.0311 (16)
O200.1271 (2)0.4483 (6)0.0146 (3)0.0244 (15)
O210.2015 (2)0.3167 (6)0.0845 (3)0.0231 (15)
O220.2776 (2)0.3974 (5)0.0248 (2)0.0152 (13)
O230.1515 (2)0.7166 (6)0.0049 (3)0.0234 (15)
O240.3470 (3)0.2062 (6)0.0811 (3)0.0280 (16)
O250.0637 (2)0.3405 (6)0.0928 (3)0.0314 (17)
O260.2736 (2)0.5676 (6)0.1159 (3)0.0222 (14)
O270.2543 (2)0.3497 (6)0.1059 (3)0.0222 (14)
O280.3982 (2)0.6213 (6)0.0154 (3)0.0232 (15)
O290.3523 (2)0.7889 (6)0.0612 (3)0.0219 (14)
O300.3791 (3)0.6157 (6)0.1105 (3)0.0287 (16)
O310.3236 (2)0.7574 (6)0.0572 (3)0.0228 (14)
O320.1007 (2)0.5650 (6)0.0903 (3)0.0224 (14)
O330.2181 (2)0.7691 (5)0.0620 (3)0.0199 (14)
O340.3643 (2)0.2732 (6)0.0370 (3)0.0210 (14)
O350.2473 (2)0.8020 (6)0.0531 (3)0.0227 (14)
O360.3485 (2)0.4351 (5)0.0483 (3)0.0210 (14)
O370.2670 (2)0.1896 (5)0.0237 (3)0.0198 (14)
O380.3870 (2)0.4731 (6)0.0982 (3)0.0199 (14)
O390.1224 (2)0.3938 (6)0.1300 (3)0.0258 (16)
O400.3193 (2)0.4193 (6)0.1557 (3)0.0213 (14)
N10.4623 (3)0.2390 (8)0.0577 (4)0.028 (2)
N20.4348 (3)0.1204 (7)0.1616 (3)0.0204 (17)
N30.3334 (3)0.2831 (8)0.2015 (4)0.0281 (19)
N40.4206 (3)0.4140 (7)0.1649 (4)0.0267 (19)
N50.0425 (3)0.7224 (7)0.0671 (3)0.0246 (18)
N60.0675 (3)0.8554 (7)0.1649 (3)0.0238 (18)
N70.1583 (3)0.6921 (8)0.2247 (3)0.029 (2)
N80.0712 (3)0.5577 (7)0.1906 (3)0.0244 (18)
C10.0050 (4)0.9890 (10)0.1162 (5)0.031 (2)
C20.0329 (4)0.8459 (9)0.0114 (5)0.027 (2)
C30.5486 (4)0.1751 (11)0.0425 (5)0.041 (3)
H3A0.57760.15530.07660.049*
C40.5151 (4)0.0023 (9)0.1254 (5)0.031 (2)
C50.5731 (4)0.0220 (11)0.0210 (6)0.043 (3)
H5A0.60280.00180.01150.052*
C60.0242 (4)0.8893 (9)0.1163 (4)0.026 (2)
C70.4984 (4)0.0578 (10)0.1814 (6)0.043 (3)
H7A0.51850.11920.18890.052*
C80.5398 (4)0.1134 (9)0.0127 (4)0.028 (2)
C90.4519 (5)0.0208 (11)0.2255 (6)0.047 (3)
H9A0.44160.05550.26360.056*
C100.0813 (4)0.9223 (10)0.2125 (4)0.034 (3)
H10A0.11060.90020.24580.041*
C110.0112 (3)0.8172 (8)0.0637 (4)0.020 (2)
C120.4949 (3)0.1481 (9)0.0613 (4)0.023 (2)
C130.4812 (4)0.0875 (9)0.1178 (4)0.025 (2)
C140.1548 (6)0.4032 (12)0.3289 (6)0.058 (4)
H14A0.15390.33860.35240.069*
C150.3418 (7)0.5728 (13)0.3046 (6)0.064 (4)
H15A0.34450.63680.32770.076*
C160.4362 (6)0.6048 (12)0.2296 (7)0.057 (4)
H16A0.44190.67010.25020.068*
C170.0617 (5)0.3623 (12)0.2573 (6)0.054 (4)
H17A0.05750.29830.27960.065*
C180.4758 (5)0.5693 (12)0.1785 (7)0.059 (4)
H18A0.50900.60780.16540.070*
C190.0205 (6)0.3924 (11)0.2048 (6)0.053 (3)
H19A0.01080.34750.19100.064*
C200.2961 (6)0.5087 (12)0.3212 (6)0.057 (4)
H20A0.26760.52980.35560.069*
C210.1995 (6)0.4703 (12)0.3456 (5)0.056 (4)
H21A0.22820.45170.38030.067*
C220.2901 (4)0.4082 (10)0.2872 (4)0.033 (3)
C230.2036 (5)0.5711 (12)0.3105 (5)0.044 (3)
C240.0106 (5)1.0584 (11)0.1685 (6)0.051 (3)
H24A0.00831.12570.17070.062*
C250.4720 (4)0.2957 (11)0.0058 (5)0.039 (3)
H25A0.45010.35800.00330.046*
C260.0507 (5)1.0172 (11)0.0635 (6)0.049 (3)
H26A0.07121.08320.06360.058*
C270.5153 (4)0.2616 (12)0.0453 (5)0.042 (3)
H27A0.52090.30010.08190.050*
C280.0548 (5)1.0237 (12)0.2163 (5)0.052 (3)
H28A0.06681.06890.25110.062*
C290.1085 (5)0.4267 (10)0.2765 (5)0.037 (3)
C300.5625 (4)0.0314 (10)0.0754 (6)0.041 (3)
H30A0.58620.08780.08040.049*
C310.2888 (4)0.2185 (11)0.2167 (5)0.037 (3)
H31A0.28790.15270.19400.044*
C320.4663 (4)0.4759 (11)0.1463 (6)0.044 (3)
H32A0.49290.45530.11020.053*
C330.2492 (4)0.6427 (13)0.3243 (5)0.044 (3)
H33A0.27990.62590.35710.053*
C340.3813 (4)0.4483 (9)0.2173 (5)0.030 (2)
C350.3864 (5)0.5438 (10)0.2517 (5)0.045 (3)
C360.3340 (4)0.3766 (9)0.2351 (4)0.023 (2)
C370.0265 (4)0.4898 (10)0.1733 (5)0.036 (3)
H37A0.00170.50980.13840.043*
C380.1591 (4)0.5964 (9)0.2596 (4)0.029 (2)
C390.2017 (4)0.7614 (10)0.2411 (5)0.034 (3)
H39A0.20080.82910.21910.041*
C400.2480 (4)0.7367 (12)0.2896 (5)0.042 (3)
H40A0.27820.78500.29810.050*
C410.2430 (4)0.2467 (11)0.2659 (5)0.035 (3)
H41A0.21190.20110.27490.042*
C420.0105 (4)0.6783 (11)0.0348 (5)0.039 (3)
H42A0.01670.62960.06810.047*
C430.2439 (5)0.3403 (11)0.3007 (5)0.042 (3)
H43A0.21340.35880.33340.051*
C440.0427 (4)0.7718 (10)0.0378 (4)0.034 (3)
H44A0.07150.78650.07300.041*
C450.0639 (4)0.9475 (10)0.0134 (5)0.034 (3)
H45A0.09370.96640.02010.041*
C460.4207 (4)0.0658 (9)0.2145 (4)0.029 (2)
H46A0.38880.08700.24470.035*
C470.0319 (4)0.6550 (10)0.0181 (5)0.032 (3)
H47A0.05350.59030.01940.039*
C480.1124 (4)0.5263 (9)0.2419 (4)0.023 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.0286 (4)0.0221 (5)0.0255 (5)0.0089 (4)0.0012 (4)0.0044 (4)
Mo20.0214 (4)0.0325 (6)0.0284 (5)0.0023 (4)0.0050 (4)0.0027 (4)
Mo30.0265 (4)0.0213 (5)0.0268 (5)0.0106 (4)0.0038 (4)0.0023 (4)
Mo40.0240 (4)0.0363 (6)0.0216 (4)0.0038 (4)0.0061 (4)0.0007 (4)
Mo50.0289 (4)0.0258 (5)0.0326 (5)0.0001 (4)0.0161 (4)0.0013 (4)
Mo60.0324 (4)0.0235 (5)0.0321 (5)0.0069 (4)0.0157 (4)0.0025 (4)
Mo70.0335 (5)0.0215 (5)0.0332 (5)0.0047 (4)0.0147 (4)0.0002 (4)
Mo80.0270 (4)0.0321 (6)0.0210 (4)0.0063 (4)0.0079 (4)0.0009 (4)
Mo90.0314 (5)0.0289 (6)0.0343 (5)0.0011 (4)0.0188 (4)0.0000 (4)
Mo100.0337 (5)0.0186 (5)0.0400 (5)0.0003 (4)0.0167 (4)0.0031 (4)
Mo110.0329 (4)0.0169 (5)0.0399 (5)0.0042 (4)0.0168 (4)0.0050 (4)
Mo120.0215 (4)0.0351 (6)0.0291 (5)0.0047 (4)0.0056 (4)0.0050 (4)
Cu10.0278 (6)0.0295 (8)0.0278 (7)0.0043 (5)0.0008 (5)0.0020 (6)
Cu20.0236 (6)0.0231 (7)0.0211 (6)0.0054 (5)0.0011 (5)0.0036 (5)
P10.0152 (10)0.0140 (13)0.0162 (11)0.0028 (9)0.0056 (9)0.0016 (9)
O10.019 (3)0.025 (4)0.043 (4)0.001 (3)0.008 (3)0.004 (3)
O20.022 (3)0.014 (4)0.019 (3)0.003 (3)0.010 (3)0.004 (3)
O30.017 (3)0.011 (3)0.018 (3)0.002 (2)0.006 (2)0.000 (3)
O40.036 (4)0.025 (4)0.039 (4)0.010 (3)0.020 (3)0.000 (3)
O50.037 (4)0.029 (4)0.026 (4)0.012 (3)0.008 (3)0.002 (3)
O60.017 (3)0.015 (3)0.018 (3)0.000 (3)0.007 (2)0.001 (3)
O70.016 (3)0.027 (4)0.021 (3)0.004 (3)0.006 (3)0.004 (3)
O80.031 (3)0.044 (5)0.015 (3)0.009 (3)0.006 (3)0.002 (3)
O90.018 (3)0.023 (4)0.028 (4)0.004 (3)0.011 (3)0.000 (3)
O100.042 (4)0.035 (5)0.021 (4)0.013 (3)0.015 (3)0.002 (3)
O110.025 (3)0.015 (4)0.020 (3)0.001 (3)0.009 (3)0.000 (3)
O120.024 (3)0.011 (4)0.029 (4)0.003 (3)0.011 (3)0.004 (3)
O130.025 (3)0.022 (4)0.023 (3)0.000 (3)0.006 (3)0.003 (3)
O140.022 (3)0.022 (4)0.014 (3)0.003 (3)0.006 (3)0.001 (3)
O150.018 (3)0.025 (4)0.019 (3)0.005 (3)0.007 (3)0.001 (3)
O160.031 (3)0.020 (4)0.040 (4)0.001 (3)0.011 (3)0.008 (3)
O170.027 (3)0.026 (4)0.031 (4)0.013 (3)0.005 (3)0.006 (3)
O180.029 (3)0.017 (4)0.016 (3)0.002 (3)0.007 (3)0.007 (3)
O190.037 (4)0.017 (4)0.045 (4)0.002 (3)0.021 (3)0.004 (3)
O200.017 (3)0.027 (4)0.027 (4)0.003 (3)0.004 (3)0.005 (3)
O210.027 (3)0.024 (4)0.023 (3)0.005 (3)0.015 (3)0.002 (3)
O220.017 (3)0.016 (4)0.013 (3)0.000 (3)0.006 (2)0.003 (3)
O230.018 (3)0.022 (4)0.031 (4)0.007 (3)0.010 (3)0.001 (3)
O240.033 (3)0.028 (4)0.028 (4)0.015 (3)0.016 (3)0.006 (3)
O250.027 (3)0.035 (5)0.033 (4)0.014 (3)0.013 (3)0.006 (3)
O260.026 (3)0.020 (4)0.021 (3)0.005 (3)0.009 (3)0.004 (3)
O270.021 (3)0.014 (4)0.031 (4)0.008 (3)0.007 (3)0.004 (3)
O280.022 (3)0.024 (4)0.024 (3)0.001 (3)0.009 (3)0.007 (3)
O290.024 (3)0.017 (4)0.025 (3)0.005 (3)0.008 (3)0.001 (3)
O300.034 (4)0.021 (4)0.040 (4)0.000 (3)0.024 (3)0.001 (3)
O310.028 (3)0.012 (4)0.029 (4)0.003 (3)0.011 (3)0.008 (3)
O320.023 (3)0.021 (4)0.022 (3)0.000 (3)0.006 (3)0.000 (3)
O330.024 (3)0.017 (4)0.023 (3)0.005 (3)0.013 (3)0.002 (3)
O340.022 (3)0.022 (4)0.020 (3)0.008 (3)0.009 (3)0.006 (3)
O350.028 (3)0.017 (4)0.021 (3)0.003 (3)0.005 (3)0.002 (3)
O360.027 (3)0.011 (4)0.025 (3)0.003 (3)0.008 (3)0.004 (3)
O370.026 (3)0.015 (4)0.024 (3)0.002 (3)0.016 (3)0.002 (3)
O380.021 (3)0.022 (4)0.017 (3)0.002 (3)0.006 (3)0.002 (3)
O390.024 (3)0.031 (4)0.031 (4)0.002 (3)0.021 (3)0.002 (3)
O400.022 (3)0.021 (4)0.021 (3)0.007 (3)0.007 (3)0.004 (3)
N10.020 (4)0.037 (6)0.033 (5)0.002 (4)0.016 (4)0.010 (4)
N20.024 (4)0.017 (5)0.020 (4)0.000 (3)0.007 (3)0.004 (3)
N30.034 (4)0.025 (5)0.025 (4)0.000 (4)0.008 (4)0.002 (4)
N40.016 (4)0.022 (5)0.045 (5)0.004 (3)0.015 (4)0.011 (4)
N50.028 (4)0.024 (5)0.019 (4)0.001 (4)0.003 (3)0.011 (4)
N60.016 (4)0.027 (5)0.027 (4)0.003 (3)0.005 (3)0.002 (4)
N70.031 (4)0.033 (6)0.018 (4)0.005 (4)0.003 (4)0.018 (4)
N80.029 (4)0.022 (5)0.023 (4)0.007 (4)0.010 (4)0.000 (4)
C10.023 (5)0.035 (7)0.034 (6)0.010 (5)0.009 (4)0.009 (5)
C20.021 (4)0.022 (6)0.036 (6)0.001 (4)0.005 (4)0.007 (5)
C30.023 (5)0.060 (9)0.032 (6)0.014 (6)0.003 (5)0.009 (6)
C40.029 (5)0.022 (6)0.041 (6)0.006 (4)0.011 (5)0.006 (5)
C50.019 (5)0.039 (8)0.060 (8)0.002 (5)0.005 (5)0.025 (6)
C60.023 (5)0.032 (6)0.029 (5)0.001 (4)0.019 (4)0.001 (5)
C70.041 (6)0.029 (7)0.066 (8)0.011 (5)0.026 (6)0.000 (6)
C80.020 (5)0.036 (7)0.028 (5)0.007 (5)0.007 (4)0.010 (5)
C90.054 (7)0.040 (8)0.051 (7)0.000 (6)0.022 (6)0.007 (6)
C100.037 (6)0.043 (8)0.018 (5)0.004 (5)0.001 (4)0.011 (5)
C110.021 (4)0.021 (6)0.020 (5)0.002 (4)0.010 (4)0.004 (4)
C120.021 (4)0.023 (6)0.027 (5)0.006 (4)0.011 (4)0.002 (4)
C130.024 (5)0.023 (6)0.030 (5)0.003 (4)0.012 (4)0.008 (4)
C140.092 (10)0.034 (8)0.041 (8)0.019 (8)0.012 (7)0.009 (6)
C150.117 (13)0.035 (9)0.047 (8)0.014 (9)0.038 (9)0.011 (7)
C160.075 (9)0.031 (8)0.092 (11)0.016 (7)0.064 (9)0.002 (7)
C170.071 (9)0.046 (9)0.057 (8)0.009 (7)0.036 (8)0.014 (7)
C180.047 (7)0.045 (9)0.100 (12)0.015 (7)0.047 (8)0.019 (8)
C190.068 (8)0.033 (8)0.063 (9)0.019 (7)0.027 (7)0.015 (7)
C200.095 (11)0.033 (8)0.041 (7)0.031 (8)0.018 (7)0.013 (6)
C210.081 (10)0.051 (9)0.024 (6)0.038 (8)0.000 (6)0.003 (6)
C220.045 (6)0.030 (7)0.021 (5)0.020 (5)0.007 (5)0.002 (5)
C230.041 (6)0.057 (9)0.029 (6)0.022 (6)0.003 (5)0.017 (6)
C240.043 (7)0.040 (8)0.065 (9)0.011 (6)0.009 (6)0.026 (7)
C250.029 (5)0.052 (8)0.038 (6)0.004 (5)0.017 (5)0.012 (6)
C260.049 (7)0.036 (8)0.057 (8)0.029 (6)0.011 (6)0.002 (6)
C270.040 (6)0.061 (9)0.022 (6)0.026 (6)0.006 (5)0.018 (6)
C280.053 (7)0.050 (9)0.042 (7)0.003 (6)0.001 (6)0.034 (6)
C290.059 (7)0.025 (7)0.025 (6)0.014 (6)0.010 (5)0.010 (5)
C300.022 (5)0.031 (7)0.061 (8)0.009 (5)0.001 (5)0.013 (6)
C310.042 (6)0.037 (7)0.028 (6)0.004 (5)0.007 (5)0.001 (5)
C320.030 (6)0.041 (8)0.069 (8)0.008 (5)0.027 (6)0.021 (7)
C330.027 (6)0.073 (10)0.026 (6)0.012 (6)0.002 (5)0.015 (6)
C340.042 (6)0.015 (6)0.043 (6)0.003 (5)0.027 (5)0.002 (5)
C350.072 (8)0.028 (7)0.044 (7)0.002 (6)0.034 (7)0.010 (6)
C360.033 (5)0.019 (6)0.022 (5)0.006 (4)0.013 (4)0.008 (4)
C370.037 (6)0.030 (7)0.041 (6)0.007 (5)0.012 (5)0.005 (5)
C380.036 (5)0.027 (6)0.024 (5)0.016 (5)0.010 (4)0.006 (5)
C390.033 (5)0.037 (7)0.035 (6)0.010 (5)0.014 (5)0.009 (5)
C400.023 (5)0.058 (9)0.040 (7)0.000 (5)0.004 (5)0.036 (6)
C410.029 (5)0.044 (8)0.032 (6)0.003 (5)0.011 (5)0.018 (6)
C420.031 (5)0.054 (9)0.030 (6)0.007 (5)0.008 (5)0.021 (6)
C430.045 (6)0.046 (8)0.028 (6)0.012 (6)0.000 (5)0.025 (6)
C440.027 (5)0.049 (8)0.016 (5)0.009 (5)0.006 (4)0.007 (5)
C450.018 (5)0.033 (7)0.043 (7)0.008 (4)0.000 (5)0.005 (5)
C460.026 (5)0.034 (7)0.030 (6)0.005 (5)0.013 (4)0.006 (5)
C470.026 (5)0.030 (7)0.034 (6)0.005 (5)0.001 (5)0.015 (5)
C480.028 (5)0.028 (6)0.015 (5)0.011 (4)0.009 (4)0.004 (4)
Geometric parameters (Å, º) top
Mo1—O171.685 (6)N3—C361.336 (13)
Mo1—O401.858 (6)N4—C321.333 (13)
Mo1—O381.895 (6)N4—C341.374 (13)
Mo1—O121.929 (6)N5—C471.335 (12)
Mo1—O341.957 (6)N5—C111.350 (12)
Mo1—O222.428 (6)N6—C101.304 (12)
Mo2—O11.676 (6)N6—C61.369 (12)
Mo2—O281.881 (6)N7—C391.332 (13)
Mo2—O71.910 (6)N7—C381.368 (14)
Mo2—O291.913 (6)N8—C371.352 (13)
Mo2—O381.951 (7)N8—C481.371 (12)
Mo2—O32.426 (6)C1—C61.379 (14)
Mo3—O51.671 (7)C1—C241.402 (15)
Mo3—O141.852 (6)C1—C261.443 (15)
Mo3—O331.906 (6)C2—C441.386 (14)
Mo3—O321.926 (6)C2—C111.415 (13)
Mo3—O231.967 (6)C2—C451.433 (14)
Mo3—O62.443 (6)C3—C271.338 (17)
Mo4—O81.656 (6)C3—C81.422 (15)
Mo4—O181.853 (6)C3—H3A0.9300
Mo4—O71.879 (5)C4—C71.391 (15)
Mo4—O151.907 (6)C4—C131.406 (14)
Mo4—O402.006 (6)C4—C301.436 (14)
Mo4—O22.444 (6)C5—C301.354 (17)
Mo5—O391.669 (6)C5—C81.417 (16)
Mo5—O211.900 (6)C5—H5A0.9300
Mo5—O151.905 (6)C6—C111.430 (13)
Mo5—O201.913 (6)C7—C91.378 (16)
Mo5—O91.960 (7)C7—H7A0.9300
Mo5—O22.401 (6)C8—C121.395 (13)
Mo6—O241.694 (6)C9—C461.362 (15)
Mo6—O341.856 (6)C9—H9A0.9300
Mo6—O361.868 (6)C10—C281.373 (16)
Mo6—O371.907 (6)C10—H10A0.9300
Mo6—O271.947 (6)C12—C131.430 (13)
Mo6—O222.445 (5)C14—C211.345 (19)
Mo7—O41.673 (7)C14—C291.437 (17)
Mo7—O231.846 (6)C14—H14A0.9300
Mo7—O351.866 (6)C15—C201.35 (2)
Mo7—O181.972 (6)C15—C351.431 (19)
Mo7—O91.986 (6)C15—H15A0.9300
Mo7—O22.424 (6)C16—C181.361 (19)
Mo8—O101.673 (6)C16—C351.416 (18)
Mo8—O271.877 (6)C16—H16A0.9300
Mo8—O111.893 (6)C17—C291.372 (17)
Mo8—O261.921 (6)C17—C191.383 (18)
Mo8—O141.975 (6)C17—H17A0.9300
Mo8—O62.410 (5)C18—C321.381 (18)
Mo9—O301.663 (6)C18—H18A0.9300
Mo9—O261.875 (6)C19—C371.378 (17)
Mo9—O311.905 (6)C19—H19A0.9300
Mo9—O281.933 (6)C20—C221.441 (17)
Mo9—O361.933 (6)C20—H20A0.9300
Mo9—O32.420 (5)C21—C231.444 (19)
Mo10—O191.676 (7)C21—H21A0.9300
Mo10—O211.892 (6)C22—C431.384 (16)
Mo10—O121.899 (6)C22—C361.420 (13)
Mo10—O131.913 (6)C23—C381.394 (14)
Mo10—O371.957 (5)C23—C331.394 (17)
Mo10—O222.438 (6)C24—C281.377 (16)
Mo11—O161.652 (7)C24—H24A0.9300
Mo11—O351.906 (6)C25—C271.405 (15)
Mo11—O331.910 (6)C25—H25A0.9300
Mo11—O291.909 (6)C26—C451.367 (16)
Mo11—O311.921 (6)C26—H26A0.9300
Mo11—O32.425 (6)C27—H27A0.9300
Mo12—O251.667 (6)C28—H28A0.9300
Mo12—O131.885 (6)C29—C481.426 (14)
Mo12—O201.901 (6)C30—H30A0.9300
Mo12—O321.923 (7)C31—C411.398 (14)
Mo12—O111.927 (6)C31—H31A0.9300
Mo12—O62.399 (6)C32—H32A0.9300
Cu1—N31.952 (8)C33—C401.348 (18)
Cu1—N11.984 (8)C33—H33A0.9300
Cu1—N42.052 (9)C34—C351.394 (15)
Cu1—N22.087 (8)C34—C361.428 (14)
Cu1—O242.187 (6)C37—H37A0.9300
Cu2—N71.969 (8)C38—C481.405 (14)
Cu2—N51.977 (7)C39—C401.389 (15)
Cu2—N62.047 (8)C39—H39A0.9300
Cu2—O92.160 (6)C40—H40A0.9300
Cu2—N82.178 (8)C41—C431.353 (17)
P1—O221.525 (6)C41—H41A0.9300
P1—O31.528 (6)C42—C441.354 (15)
P1—O21.529 (6)C42—C471.387 (14)
P1—O61.530 (6)C42—H42A0.9300
N1—C251.324 (13)C43—H43A0.9300
N1—C121.368 (12)C44—H44A0.9300
N2—C461.325 (12)C45—H45A0.9300
N2—C131.359 (11)C46—H46A0.9300
N3—C311.327 (13)C47—H47A0.9300
O17—Mo1—O40103.2 (3)P1—O3—Mo11126.4 (3)
O17—Mo1—O38101.3 (3)Mo9—O3—Mo1188.61 (19)
O40—Mo1—O3887.9 (3)P1—O3—Mo2127.7 (3)
O17—Mo1—O12101.0 (3)Mo9—O3—Mo288.55 (17)
O40—Mo1—O1289.8 (3)Mo11—O3—Mo288.56 (19)
O38—Mo1—O12157.5 (3)P1—O6—Mo12126.0 (3)
O17—Mo1—O34100.8 (3)P1—O6—Mo8125.5 (3)
O40—Mo1—O34155.9 (2)Mo12—O6—Mo889.3 (2)
O38—Mo1—O3488.0 (3)P1—O6—Mo3126.2 (3)
O12—Mo1—O3485.0 (3)Mo12—O6—Mo389.25 (18)
O17—Mo1—O22170.7 (3)Mo8—O6—Mo388.71 (19)
O40—Mo1—O2284.0 (2)Mo4—O7—Mo2155.2 (4)
O38—Mo1—O2284.7 (2)Mo5—O9—Mo7120.9 (3)
O12—Mo1—O2272.8 (2)Mo5—O9—Cu2129.4 (3)
O34—Mo1—O2272.1 (2)Mo7—O9—Cu2107.9 (3)
O1—Mo2—O28103.1 (3)Mo8—O11—Mo12124.5 (3)
O1—Mo2—O7101.0 (3)Mo10—O12—Mo1125.5 (3)
O28—Mo2—O7155.7 (3)Mo12—O13—Mo10151.6 (4)
O1—Mo2—O29100.3 (3)Mo3—O14—Mo8124.9 (3)
O28—Mo2—O2989.4 (3)Mo5—O15—Mo4124.7 (3)
O7—Mo2—O2989.2 (3)Mo4—O18—Mo7126.0 (3)
O1—Mo2—O38102.2 (3)Mo12—O20—Mo5150.1 (3)
O28—Mo2—O3888.0 (3)Mo10—O21—Mo5152.6 (4)
O7—Mo2—O3884.0 (3)P1—O22—Mo1126.5 (3)
O29—Mo2—O38157.4 (2)P1—O22—Mo10125.1 (3)
O1—Mo2—O3172.4 (3)Mo1—O22—Mo1088.7 (2)
O28—Mo2—O373.4 (2)P1—O22—Mo6126.8 (3)
O7—Mo2—O382.9 (2)Mo1—O22—Mo688.53 (18)
O29—Mo2—O373.2 (2)Mo10—O22—Mo689.1 (2)
O38—Mo2—O384.5 (2)Mo7—O23—Mo3149.3 (3)
O5—Mo3—O14101.3 (3)Mo6—O24—Cu1126.8 (4)
O5—Mo3—O33103.9 (3)Mo9—O26—Mo8152.5 (4)
O14—Mo3—O3391.8 (2)Mo8—O27—Mo6149.7 (4)
O5—Mo3—O32100.4 (3)Mo2—O28—Mo9125.0 (3)
O14—Mo3—O3289.1 (3)Mo11—O29—Mo2124.8 (3)
O33—Mo3—O32155.0 (3)Mo9—O31—Mo11124.4 (3)
O5—Mo3—O23101.8 (3)Mo12—O32—Mo3124.1 (3)
O14—Mo3—O23156.9 (3)Mo11—O33—Mo3154.5 (3)
O33—Mo3—O2383.3 (2)Mo6—O34—Mo1126.2 (3)
O32—Mo3—O2386.1 (3)Mo7—O35—Mo11149.2 (4)
O5—Mo3—O6171.2 (3)Mo6—O36—Mo9151.7 (3)
O14—Mo3—O673.7 (2)Mo6—O37—Mo10124.8 (3)
O33—Mo3—O683.7 (2)Mo1—O38—Mo2148.7 (3)
O32—Mo3—O672.6 (2)Mo1—O40—Mo4149.8 (3)
O23—Mo3—O683.2 (2)C25—N1—C12119.7 (9)
O8—Mo4—O18103.7 (3)C25—N1—Cu1126.7 (7)
O8—Mo4—O7101.8 (3)C12—N1—Cu1113.4 (6)
O18—Mo4—O792.6 (3)C46—N2—C13118.6 (8)
O8—Mo4—O15100.8 (3)C46—N2—Cu1130.8 (7)
O18—Mo4—O1589.0 (3)C13—N2—Cu1110.5 (6)
O7—Mo4—O15156.2 (3)C31—N3—C36118.1 (9)
O8—Mo4—O40100.4 (3)C31—N3—Cu1127.7 (7)
O18—Mo4—O40155.9 (2)C36—N3—Cu1114.1 (7)
O7—Mo4—O4083.1 (3)C32—N4—C34117.6 (10)
O15—Mo4—O4085.8 (3)C32—N4—Cu1130.8 (8)
O8—Mo4—O2172.8 (3)C34—N4—Cu1111.3 (6)
O18—Mo4—O273.2 (2)C47—N5—C11117.9 (8)
O7—Mo4—O285.0 (2)C47—N5—Cu2128.5 (7)
O15—Mo4—O272.8 (2)C11—N5—Cu2113.6 (6)
O40—Mo4—O282.8 (2)C10—N6—C6117.5 (9)
O39—Mo5—O21100.4 (3)C10—N6—Cu2131.8 (7)
O39—Mo5—O15100.3 (3)C6—N6—Cu2110.7 (6)
O21—Mo5—O1590.5 (3)C39—N7—C38117.8 (9)
O39—Mo5—O20102.7 (3)C39—N7—Cu2124.9 (8)
O21—Mo5—O2085.3 (3)C38—N7—Cu2116.4 (7)
O15—Mo5—O20156.9 (3)C37—N8—C48117.4 (9)
O39—Mo5—O9100.5 (3)C37—N8—Cu2133.0 (7)
O21—Mo5—O9159.1 (2)C48—N8—Cu2109.1 (6)
O15—Mo5—O986.4 (3)C6—C1—C24118.0 (9)
O20—Mo5—O989.5 (3)C6—C1—C26119.4 (10)
O39—Mo5—O2172.5 (3)C24—C1—C26122.5 (10)
O21—Mo5—O284.6 (2)C44—C2—C11116.7 (9)
O15—Mo5—O273.9 (2)C44—C2—C45125.1 (9)
O20—Mo5—O283.1 (2)C11—C2—C45118.2 (9)
O9—Mo5—O274.6 (2)C27—C3—C8120.0 (10)
O24—Mo6—O34101.5 (3)C27—C3—H3A120.0
O24—Mo6—O36100.8 (3)C8—C3—H3A120.0
O34—Mo6—O3691.2 (3)C7—C4—C13116.1 (9)
O24—Mo6—O37102.8 (3)C7—C4—C30125.3 (11)
O34—Mo6—O3789.4 (3)C13—C4—C30118.6 (10)
O36—Mo6—O37155.8 (3)C30—C5—C8121.2 (10)
O24—Mo6—O27101.6 (3)C30—C5—H5A119.4
O34—Mo6—O27157.0 (3)C8—C5—H5A119.4
O36—Mo6—O2785.0 (3)N6—C6—C1123.0 (9)
O37—Mo6—O2785.0 (3)N6—C6—C11116.5 (9)
O24—Mo6—O22173.0 (3)C1—C6—C11120.5 (9)
O34—Mo6—O2273.2 (2)C9—C7—C4119.3 (11)
O36—Mo6—O2283.9 (2)C9—C7—H7A120.4
O37—Mo6—O2273.1 (2)C4—C7—H7A120.4
O27—Mo6—O2283.8 (2)C12—C8—C5119.4 (10)
O4—Mo7—O23103.6 (3)C12—C8—C3116.0 (10)
O4—Mo7—O35104.0 (3)C5—C8—C3124.6 (10)
O23—Mo7—O3589.5 (3)C46—C9—C7121.3 (11)
O4—Mo7—O1899.5 (3)C46—C9—H9A119.4
O23—Mo7—O18156.8 (3)C7—C9—H9A119.4
O35—Mo7—O1886.9 (3)N6—C10—C28123.5 (10)
O4—Mo7—O996.7 (3)N6—C10—H10A118.2
O23—Mo7—O991.7 (3)C28—C10—H10A118.2
O35—Mo7—O9158.3 (3)N5—C11—C2123.1 (9)
O18—Mo7—O983.5 (2)N5—C11—C6116.7 (8)
O4—Mo7—O2167.5 (3)C2—C11—C6120.2 (9)
O23—Mo7—O285.0 (2)N1—C12—C8122.8 (9)
O35—Mo7—O284.9 (2)N1—C12—C13117.2 (8)
O18—Mo7—O271.8 (2)C8—C12—C13120.0 (9)
O9—Mo7—O273.7 (2)N2—C13—C4123.4 (9)
O10—Mo8—O27104.4 (3)N2—C13—C12116.9 (8)
O10—Mo8—O11101.2 (3)C4—C13—C12119.7 (9)
O27—Mo8—O1192.2 (3)C21—C14—C29123.1 (12)
O10—Mo8—O26103.5 (3)C21—C14—H14A118.4
O27—Mo8—O2686.0 (3)C29—C14—H14A118.4
O11—Mo8—O26154.8 (2)C20—C15—C35120.9 (13)
O10—Mo8—O1496.8 (3)C20—C15—H15A119.6
O27—Mo8—O14158.7 (3)C35—C15—H15A119.6
O11—Mo8—O1486.0 (2)C18—C16—C35120.9 (12)
O26—Mo8—O1486.7 (3)C18—C16—H16A119.6
O10—Mo8—O6168.1 (3)C35—C16—H16A119.6
O27—Mo8—O686.5 (2)C29—C17—C19120.2 (12)
O11—Mo8—O673.2 (2)C29—C17—H17A119.9
O26—Mo8—O681.6 (2)C19—C17—H17A119.9
O14—Mo8—O672.6 (2)C16—C18—C32119.6 (12)
O30—Mo9—O26102.2 (3)C16—C18—H18A120.2
O30—Mo9—O3199.5 (3)C32—C18—H18A120.2
O26—Mo9—O3190.6 (3)C37—C19—C17119.2 (12)
O30—Mo9—O28102.6 (3)C37—C19—H19A120.4
O26—Mo9—O28155.1 (2)C17—C19—H19A120.4
O31—Mo9—O2886.9 (3)C15—C20—C22121.8 (12)
O30—Mo9—O36101.8 (3)C15—C20—H20A119.1
O26—Mo9—O3685.1 (3)C22—C20—H20A119.1
O31—Mo9—O36158.7 (2)C14—C21—C23120.9 (12)
O28—Mo9—O3688.3 (3)C14—C21—H21A119.5
O30—Mo9—O3171.8 (3)C23—C21—H21A119.5
O26—Mo9—O382.8 (2)C43—C22—C36116.5 (10)
O31—Mo9—O373.7 (2)C43—C22—C20124.9 (11)
O28—Mo9—O372.8 (2)C36—C22—C20118.5 (11)
O36—Mo9—O385.1 (2)C38—C23—C33118.8 (12)
O19—Mo10—O21103.2 (3)C38—C23—C21117.3 (12)
O19—Mo10—O12101.2 (3)C33—C23—C21124.0 (11)
O21—Mo10—O1290.0 (3)C28—C24—C1117.9 (11)
O19—Mo10—O13102.4 (3)C28—C24—H24A121.0
O21—Mo10—O1384.8 (3)C1—C24—H24A121.0
O12—Mo10—O13156.4 (3)N1—C25—C27120.0 (11)
O19—Mo10—O37101.2 (3)N1—C25—H25A120.0
O21—Mo10—O37155.5 (3)C27—C25—H25A120.0
O12—Mo10—O3787.8 (3)C45—C26—C1120.3 (10)
O13—Mo10—O3787.4 (3)C45—C26—H26A119.8
O19—Mo10—O22171.3 (3)C1—C26—H26A119.8
O21—Mo10—O2283.5 (2)C3—C27—C25121.4 (10)
O12—Mo10—O2273.0 (2)C3—C27—H27A119.3
O13—Mo10—O2283.5 (2)C25—C27—H27A119.3
O37—Mo10—O2272.5 (2)C10—C28—C24120.0 (10)
O16—Mo11—O35102.9 (3)C10—C28—H28A120.0
O16—Mo11—O33103.1 (3)C24—C28—H28A120.0
O35—Mo11—O3384.6 (2)C17—C29—C14125.9 (12)
O16—Mo11—O29100.5 (3)C17—C29—C48118.0 (10)
O35—Mo11—O2989.1 (3)C14—C29—C48116.1 (11)
O33—Mo11—O29156.4 (3)C5—C30—C4120.9 (10)
O16—Mo11—O3199.7 (3)C5—C30—H30A119.5
O35—Mo11—O31157.4 (3)C4—C30—H30A119.5
O33—Mo11—O3190.0 (2)N3—C31—C41121.8 (11)
O29—Mo11—O3187.1 (3)N3—C31—H31A119.1
O16—Mo11—O3170.6 (3)C41—C31—H31A119.1
O35—Mo11—O384.3 (2)N4—C32—C18122.6 (12)
O33—Mo11—O383.5 (2)N4—C32—H32A118.7
O29—Mo11—O373.2 (2)C18—C32—H32A118.7
O31—Mo11—O373.3 (2)C40—C33—C23119.1 (11)
O25—Mo12—O13102.8 (3)C40—C33—H33A120.5
O25—Mo12—O20103.3 (3)C23—C33—H33A120.5
O13—Mo12—O2086.3 (3)N4—C34—C35123.9 (10)
O25—Mo12—O32100.1 (3)N4—C34—C36114.4 (9)
O13—Mo12—O32157.1 (3)C35—C34—C36121.6 (10)
O20—Mo12—O3288.8 (3)C34—C35—C15118.6 (12)
O25—Mo12—O1199.4 (3)C34—C35—C16115.4 (12)
O13—Mo12—O1188.8 (3)C15—C35—C16126.0 (13)
O20—Mo12—O11157.3 (3)N3—C36—C22123.4 (9)
O32—Mo12—O1187.1 (3)N3—C36—C34118.1 (9)
O25—Mo12—O6170.2 (3)C22—C36—C34118.5 (9)
O13—Mo12—O683.6 (2)N8—C37—C19123.2 (11)
O20—Mo12—O684.4 (2)N8—C37—H37A118.4
O32—Mo12—O673.7 (2)C19—C37—H37A118.4
O11—Mo12—O673.0 (2)N7—C38—C23121.6 (11)
N3—Cu1—N1174.4 (3)N7—C38—C48116.4 (9)
N3—Cu1—N482.0 (3)C23—C38—C48122.0 (11)
N1—Cu1—N4101.3 (3)N7—C39—C40122.6 (11)
N3—Cu1—N2101.2 (3)N7—C39—H39A118.7
N1—Cu1—N281.9 (3)C40—C39—H39A118.7
N4—Cu1—N2110.8 (3)C33—C40—C39120.0 (11)
N3—Cu1—O2486.9 (3)C33—C40—H40A120.0
N1—Cu1—O2487.6 (3)C39—C40—H40A120.0
N4—Cu1—O24137.7 (3)C43—C41—C31120.2 (11)
N2—Cu1—O24111.4 (3)C43—C41—H41A119.9
N7—Cu2—N5174.6 (4)C31—C41—H41A119.9
N7—Cu2—N696.3 (3)C44—C42—C47120.1 (10)
N5—Cu2—N682.3 (3)C44—C42—H42A119.9
N7—Cu2—O990.6 (3)C47—C42—H42A119.9
N5—Cu2—O987.8 (3)C41—C43—C22119.8 (10)
N6—Cu2—O9146.2 (3)C41—C43—H43A120.1
N7—Cu2—N879.1 (3)C22—C43—H43A120.1
N5—Cu2—N8106.2 (3)C42—C44—C2120.1 (9)
N6—Cu2—N8111.1 (3)C42—C44—H44A119.9
O9—Cu2—N8102.7 (3)C2—C44—H44A119.9
O22—P1—O3108.8 (3)C26—C45—C2121.3 (9)
O22—P1—O2110.6 (3)C26—C45—H45A119.3
O3—P1—O2108.5 (3)C2—C45—H45A119.3
O22—P1—O6109.7 (3)N2—C46—C9121.3 (10)
O3—P1—O6110.7 (3)N2—C46—H46A119.3
O2—P1—O6108.5 (3)C9—C46—H46A119.3
P1—O2—Mo5126.3 (3)N5—C47—C42122.1 (10)
P1—O2—Mo7125.5 (3)N5—C47—H47A118.9
Mo5—O2—Mo790.74 (18)C42—C47—H47A118.9
P1—O2—Mo4125.3 (3)N8—C48—C38117.5 (9)
Mo5—O2—Mo488.38 (19)N8—C48—C29121.9 (9)
Mo7—O2—Mo488.91 (19)C38—C48—C29120.7 (9)
P1—O3—Mo9124.7 (3)
 

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