Tris(1,4-dimethyl­pyridinium) aqua­hepta­kis(dimethyl­formamide-κO)lanthanum(III) diphosphatoocta­deca­tungsten dimethyl­formamide disolvate

In the title compound, (C₇H₁₀N)₃[La(P₂W₁₈O₆₂)(C₃H₇NO)₇(H₂O)]·2C₃H₇NO, 1,4-dimethyl­pyridinium cations, [La(DMF)₇(H₂O)]³⁺ (DMF = dimethyl­formamide) complex cations and octa­deca­tungstodiphosphate (P₂W₁₈O₆₂⁶⁻) anions form an infinite three-dimensional assembly via La—O—W coordination bonds, electrostatic forces, and C—H...O and O—H...O hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.073 Å
• R factor = 0.106
• wR factor = 0.262
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  Crystal and compound unsuitable for non-numerical
               corrections. Product of mu and tmid > 3.0
             Value of mu given =    19.896 tmid =     0.250

Author Response: A regularly shaped crystal cannot be obtained, and the faces cannot be indexed adequately. So multi-scan and refdelf absorption corrections are used respectively. And we find refdelf absorption can lead to a better result than multi-scan.

Alert level C
RFACG01_ALERT_3_C  The value of the R factor is > 0.10
            R factor given   0.106
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.262

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.75
           From the CIF: _reflns_number_total              21381
           Count of symmetry unique reflns        11682
           Completeness (_total/calc)            183.03%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      9699
           Fraction of Friedel pairs measured     0.830
           Are heavy atom types Z>Si present        yes

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXL97.

Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κO)lanthanum(III) diphosphatooctadecatungste dimethylformamide disolvate

Crystal data

(C7H10N)3[La(P2W18O62)(C3H7NO)7(H2O)]·2C3H7NO	F(000) = 9848
Mr = 5502.51	Dx = 3.431 Mg m^−3
Orthorhombic, Pna21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2n	Cell parameters from 250 reflections
a = 38.970 (19) Å	θ = 1.5–26.8°
b = 14.804 (7) Å	µ = 19.90 mm^−1
c = 18.441 (9) Å	T = 298 K
V = 10639 (9) Å^3	Plate, blue
Z = 4	0.58 × 0.25 × 0.05 mm

Data collection

Bruker SMART CCD area-detector diffractometer	21381 independent reflections
Radiation source: fine-focus sealed tube	15566 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.091
φ and ω scans	θmax = 26.8°, θmin = 1.5°
Absorption correction: part of the refinement model (ΔF) (Parkin et al., 1995)	h = −47→49
Tmin = 0.003, Tmax = 0.366	k = −12→18
61983 measured reflections	l = −23→22

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.106	H-atom parameters constrained
wR(F^2) = 0.262	w = 1/[σ^2(Fo^2) + (0.1368P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max = 0.001
21381 reflections	Δρmax = 4.98 e Å^−3
1300 parameters	Δρmin = −4.08 e Å^−3
423 restraints	Absolute structure: Flack (1983), 9699 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (1)

Special details

Experimental. All organic solvents and common materials used for synthesis were of reagent grade and used without further purification.

IR (KBr, cm^-1): 1088, 954, 922, 783 (P₂W₁₈O₆₂^6-), 1645 (C═O), 1496, 1433 (pyridine ring), 1378 (–CH₃).

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 (Ų)

	x	y	z	Uiso*/Ueq
C1	0.4718 (11)	0.487 (3)	0.5556 (18)	0.050 (12)
H1	0.4875	0.4531	0.5824	0.060*
C2	0.4610 (9)	0.572 (3)	0.576 (3)	0.047 (12)
H2	0.4703	0.5946	0.6188	0.057*
C3	0.4377 (9)	0.626 (3)	0.540 (2)	0.044 (11)
C4	0.4264 (12)	0.585 (3)	0.476 (2)	0.054 (14)
H4	0.4133	0.6209	0.4446	0.064*
C5	0.4327 (12)	0.499 (3)	0.455 (3)	0.079 (16)
H5	0.4208	0.4712	0.4172	0.095*
C6	0.4688 (15)	0.366 (3)	0.466 (3)	0.08 (2)
H6A	0.4865	0.3430	0.4972	0.119*
H6B	0.4774	0.3721	0.4177	0.119*
H6C	0.4495	0.3259	0.4666	0.119*
C7	0.4305 (15)	0.726 (4)	0.563 (4)	0.066 (16)
H7A	0.4409	0.7372	0.6096	0.099*
H7B	0.4062	0.7351	0.5665	0.099*
H7C	0.4401	0.7659	0.5278	0.099*
C11	0.7391 (16)	0.810 (4)	0.988 (3)	0.071 (19)
H11	0.7268	0.8629	0.9793	0.085*
C12	0.7319 (12)	0.739 (3)	0.944 (3)	0.053 (14)
H12	0.7126	0.7363	0.9145	0.064*
C13	0.7566 (14)	0.668 (4)	0.947 (3)	0.068 (16)
C14	0.7820 (17)	0.677 (4)	0.998 (3)	0.08 (2)
H14	0.7958	0.6269	1.0077	0.099*
C15	0.7879 (16)	0.754 (4)	1.035 (5)	0.11 (3)
H15	0.8093	0.7657	1.0557	0.131*
C16	0.7628 (11)	0.886 (3)	1.094 (3)	0.058 (15)
H16A	0.7424	0.9218	1.0901	0.087*
H16B	0.7825	0.9234	1.0851	0.087*
H16C	0.7643	0.8616	1.1425	0.087*
C17	0.7518 (17)	0.585 (4)	0.902 (3)	0.09 (2)
H17A	0.7698	0.5814	0.8666	0.141*
H17B	0.7300	0.5879	0.8779	0.141*
H17C	0.7525	0.5327	0.9327	0.141*
C21	0.6376 (15)	0.278 (4)	0.353 (3)	0.068 (17)
H21	0.6534	0.3181	0.3333	0.081*
C22	0.6266 (16)	0.288 (5)	0.423 (3)	0.08 (2)
H22	0.6329	0.3394	0.4484	0.101*
C23	0.6069 (15)	0.224 (3)	0.458 (3)	0.08 (2)
C24	0.5927 (14)	0.163 (4)	0.411 (3)	0.065 (16)
H24	0.5744	0.1288	0.4280	0.078*
C25	0.6032 (16)	0.148 (4)	0.341 (3)	0.074 (18)
H25	0.5956	0.0984	0.3149	0.088*
C26	0.638 (3)	0.195 (6)	0.241 (4)	0.14 (4)
H26A	0.6538	0.2423	0.2281	0.212*
H26B	0.6192	0.1952	0.2069	0.212*
H26C	0.6495	0.1378	0.2384	0.212*
C27	0.596 (2)	0.233 (6)	0.536 (3)	0.12 (4)
H27A	0.5806	0.1849	0.5480	0.174*
H27B	0.5848	0.2900	0.5430	0.174*
H27C	0.6160	0.2299	0.5665	0.174*
C30	0.5339 (9)	0.744 (5)	0.774 (3)	0.071 (12)
H30	0.5374	0.7278	0.7255	0.086*
C31	0.4979 (17)	0.811 (5)	0.866 (3)	0.09 (2)
H31A	0.5200	0.8222	0.8871	0.130*
H31B	0.4846	0.7732	0.8971	0.130*
H31C	0.4862	0.8679	0.8591	0.130*
C32	0.4720 (12)	0.746 (5)	0.751 (4)	0.08 (2)
H32A	0.4793	0.7167	0.7074	0.123*
H32B	0.4601	0.8009	0.7392	0.123*
H32C	0.4570	0.7069	0.7777	0.123*
C40	0.5732 (12)	0.911 (4)	0.686 (3)	0.064 (11)
H40	0.5774	0.8682	0.6507	0.077*
C41	0.5256 (13)	0.994 (4)	0.738 (3)	0.070 (17)
H41A	0.5365	0.9783	0.7831	0.104*
H41B	0.5051	0.9586	0.7325	0.104*
H41C	0.5199	1.0568	0.7381	0.104*
C42	0.5254 (19)	0.965 (6)	0.616 (4)	0.113
H42A	0.5380	0.9543	0.5722	0.169*
H42B	0.5125	1.0202	0.6112	0.169*
H42C	0.5101	0.9159	0.6251	0.169*
C50	0.5795 (15)	0.939 (3)	0.920 (3)	0.066 (8)
H50	0.5861	0.9844	0.8878	0.079*
C51	0.5485 (12)	1.047 (3)	0.997 (3)	0.052 (12)
H51A	0.5578	1.0896	0.9632	0.078*
H51B	0.5560	1.0617	1.0452	0.078*
H51C	0.5239	1.0484	0.9950	0.078*
C52	0.546 (2)	0.887 (5)	1.023 (4)	0.09 (2)
H52A	0.5546	0.8291	1.0072	0.140*
H52B	0.5214	0.8875	1.0178	0.140*
H52C	0.5521	0.8968	1.0723	0.140*
C60	0.6686 (13)	0.960 (4)	0.704 (3)	0.070 (11)
H60	0.6575	0.9548	0.6594	0.084*
C61	0.7130 (13)	1.057 (5)	0.653 (4)	0.079 (17)
H61A	0.6982	1.0600	0.6118	0.119*
H61B	0.7340	1.0271	0.6400	0.119*
H61C	0.7179	1.1165	0.6703	0.119*
C62	0.7202 (14)	0.998 (5)	0.766 (3)	0.076 (15)
H62A	0.7096	0.9620	0.8037	0.115*
H62B	0.7260	1.0561	0.7857	0.115*
H62C	0.7406	0.9682	0.7499	0.115*
C70	0.6594 (12)	0.936 (3)	0.9391 (19)	0.049 (10)
H70	0.6601	0.9862	0.9083	0.059*
C71	0.6480 (17)	0.880 (4)	1.059 (3)	0.070 (17)
H71A	0.6517	0.8236	1.0341	0.104*
H71B	0.6243	0.8846	1.0726	0.104*
H71C	0.6622	0.8826	1.1011	0.104*
C72	0.6525 (16)	1.047 (3)	1.035 (3)	0.071 (18)
H72A	0.6595	1.0882	0.9971	0.107*
H72B	0.6664	1.0571	1.0771	0.107*
H72C	0.6288	1.0579	1.0465	0.107*
C80	0.6017 (10)	0.583 (2)	0.726 (2)	0.039 (8)
H80	0.5917	0.6152	0.6877	0.047*
C81	0.615 (2)	0.433 (4)	0.773 (4)	0.095
H81A	0.6076	0.4519	0.8205	0.142*
H81B	0.6396	0.4327	0.7712	0.142*
H81C	0.6066	0.3729	0.7639	0.142*
C82	0.5853 (15)	0.447 (4)	0.659 (3)	0.064 (16)
H82A	0.5671	0.4844	0.6407	0.096*
H82B	0.5762	0.3906	0.6750	0.096*
H82C	0.6019	0.4373	0.6215	0.096*
C90	0.7019 (12)	0.721 (4)	0.744 (3)	0.080 (18)
H90	0.7000	0.7704	0.7135	0.096*
C91	0.7624 (13)	0.707 (6)	0.715 (6)	0.107
H91A	0.7628	0.7677	0.7326	0.160*
H91B	0.7687	0.7056	0.6649	0.160*
H91C	0.7784	0.6708	0.7425	0.160*
C92	0.723 (2)	0.574 (4)	0.705 (5)	0.107
H92A	0.6996	0.5571	0.7119	0.161*
H92B	0.7375	0.5373	0.7359	0.161*
H92C	0.7296	0.5641	0.6554	0.161*
C100	0.1605 (11)	0.275 (5)	0.718 (3)	0.082 (16)
H100	0.1827	0.2632	0.7339	0.098*
C101	0.140 (2)	0.303 (7)	0.843 (4)	0.121
H96A	0.1629	0.2831	0.8553	0.181*
H96B	0.1237	0.2604	0.8616	0.181*
H96C	0.1360	0.3612	0.8637	0.181*
C102	0.1032 (12)	0.336 (6)	0.735 (4)	0.082 (14)
H97A	0.1030	0.3335	0.6827	0.123*
H97B	0.0986	0.3967	0.7503	0.123*
H97C	0.0860	0.2962	0.7536	0.123*
C110	0.168 (3)	1.004 (6)	0.987 (4)	0.139
H110	0.1822	0.9579	1.0049	0.166*
C111	0.175 (3)	1.055 (7)	1.110 (4)	0.147
H11A	0.1738	0.9921	1.1211	0.220*
H11B	0.1570	1.0870	1.1338	0.220*
H11C	0.1969	1.0786	1.1255	0.220*
C112	0.173 (3)	1.166 (5)	1.012 (6)	0.13 (4)
H11D	0.1720	1.1728	0.9602	0.198*
H11E	0.1945	1.1913	1.0291	0.198*
H11F	0.1544	1.1967	1.0341	0.198*
N2	0.5023 (10)	0.768 (3)	0.796 (3)	0.071 (14)
N3	0.5495 (12)	0.974 (3)	0.677 (3)	0.067 (10)
N4	0.5604 (11)	0.956 (2)	0.978 (2)	0.054 (8)
N5	0.6970 (12)	1.008 (3)	0.708 (2)	0.063 (8)
N6	0.6567 (11)	0.955 (3)	1.0100 (18)	0.054 (10)
N7	0.6018 (12)	0.493 (2)	0.7200 (19)	0.053 (11)
N8	0.7278 (11)	0.669 (4)	0.724 (4)	0.084 (14)
N10	0.4578 (10)	0.456 (2)	0.4931 (16)	0.043 (10)
N11	0.7618 (9)	0.812 (3)	1.041 (2)	0.052 (11)
N12	0.6253 (13)	0.210 (3)	0.312 (3)	0.081 (17)
N14	0.1367 (10)	0.308 (3)	0.761 (3)	0.064 (11)
N15	0.1719 (15)	1.068 (4)	1.031 (3)	0.074 (15)
O1	0.5730 (6)	0.6571 (18)	0.4069 (14)	0.024 (3)
O2	0.5557 (6)	0.9643 (16)	0.3074 (14)	0.021 (4)
O3	0.5360 (6)	0.8429 (17)	0.2048 (14)	0.022 (5)
O4	0.5534 (6)	0.8289 (17)	0.4777 (13)	0.021 (4)
O5	0.6656 (7)	0.6670 (19)	0.3263 (15)	0.028
O6	0.6617 (7)	0.9910 (18)	0.3778 (14)	0.026 (6)
O7	0.5885 (6)	0.7064 (16)	0.5490 (13)	0.018 (5)
O8	0.6848 (7)	0.770 (2)	0.5703 (18)	0.035 (7)
O9	0.6584 (7)	0.5011 (18)	0.4061 (16)	0.026 (6)
O10	0.6461 (6)	0.6095 (17)	0.5832 (13)	0.019 (5)
O11	0.5405 (6)	0.5826 (19)	0.5124 (16)	0.028 (6)
O12	0.5929 (6)	0.6472 (16)	0.2777 (13)	0.017 (5)
O13	0.5967 (7)	0.5495 (18)	0.1611 (15)	0.026
O14	0.5086 (7)	0.855 (2)	0.3699 (15)	0.032 (6)
O15	0.6486 (6)	0.6740 (16)	0.1787 (14)	0.018 (3)
O16	0.6993 (7)	0.5811 (18)	0.2299 (15)	0.026 (6)
O17	0.5086 (7)	0.712 (2)	0.4501 (16)	0.034 (7)
O18	0.7121 (6)	0.8918 (17)	0.3276 (14)	0.022 (5)
O19	0.6442 (6)	0.6811 (18)	0.4593 (15)	0.024 (4)
O20	0.6218 (7)	0.929 (2)	0.2671 (16)	0.033 (6)
O21	0.6753 (6)	0.8182 (16)	0.2309 (13)	0.017 (4)
O22	0.6054 (6)	0.5224 (19)	0.4858 (14)	0.025 (6)
O23	0.7504 (6)	0.8528 (18)	0.4558 (16)	0.027 (6)
O24	0.6419 (6)	0.5048 (17)	0.2716 (14)	0.020 (5)
O25	0.5784 (6)	0.7984 (19)	0.3317 (15)	0.027
O26	0.7210 (8)	0.562 (2)	0.3687 (17)	0.036 (7)
O27	0.7020 (6)	0.5765 (16)	0.5045 (14)	0.020 (5)
O28	0.5296 (7)	0.6888 (18)	0.3022 (16)	0.029 (6)
O29	0.4776 (5)	0.7752 (16)	0.2555 (14)	0.018 (5)
O30	0.5244 (8)	0.520 (2)	0.3808 (17)	0.037 (7)
O31	0.5324 (7)	1.0066 (19)	0.4400 (18)	0.035 (7)
O32	0.5922 (6)	0.3802 (18)	0.2218 (15)	0.025 (5)
O33	0.6982 (6)	0.4151 (17)	0.3005 (14)	0.022 (4)
O34	0.5874 (7)	0.481 (2)	0.3531 (15)	0.030 (6)
O35	0.5429 (6)	0.5082 (16)	0.2463 (15)	0.022 (4)
O36	0.5502 (6)	0.6856 (17)	0.1509 (14)	0.021
O37	0.6869 (7)	0.9066 (19)	0.4945 (15)	0.028
O38	0.5970 (6)	0.9420 (17)	0.4240 (14)	0.019
O39	0.7052 (7)	0.7409 (18)	0.4215 (15)	0.027 (4)
O40	0.7121 (6)	0.7147 (19)	0.1378 (15)	0.026 (6)
O41	0.6055 (7)	0.689 (2)	0.0606 (16)	0.032 (6)
O42	0.4881 (9)	0.756 (3)	0.109 (2)	0.052 (9)
O43	0.4704 (6)	0.6232 (16)	0.3380 (13)	0.018 (5)
O44	0.7283 (7)	0.7380 (19)	0.2721 (15)	0.030 (6)
O45	0.7677 (6)	0.6988 (19)	0.3919 (18)	0.032 (6)
O46	0.4946 (6)	0.6184 (16)	0.1989 (13)	0.018 (5)
O47	0.4793 (7)	0.457 (2)	0.2746 (18)	0.037 (7)
O48	0.5547 (6)	0.4006 (18)	0.4701 (15)	0.024 (5)
O49	0.6577 (7)	0.4317 (19)	0.5453 (16)	0.029 (6)
O50	0.4443 (7)	0.785 (2)	0.3955 (15)	0.030 (6)
O51	0.7828 (7)	0.848 (2)	0.3141 (19)	0.039 (6)
O52	0.6017 (7)	0.7995 (19)	0.1777 (16)	0.032 (7)
O53	0.7697 (8)	0.541 (2)	0.4823 (17)	0.038 (7)
O54	0.5770 (6)	0.979 (2)	0.1598 (16)	0.029 (6)
O55	0.6502 (6)	0.8222 (17)	0.3777 (16)	0.025 (6)
O56	0.6376 (9)	1.035 (2)	0.515 (2)	0.050 (9)
O57	0.6281 (7)	0.8489 (18)	0.5311 (16)	0.032 (6)
O58	0.6295 (8)	0.765 (2)	0.6617 (16)	0.035 (6)
O59	0.7419 (7)	0.707 (2)	0.5272 (16)	0.032 (6)
O60	0.6846 (8)	1.0128 (19)	0.236 (2)	0.039 (7)
O61	0.7392 (9)	0.869 (3)	0.595 (2)	0.057 (4)
O62	0.5201 (8)	0.727 (2)	0.585 (2)	0.045 (8)
O70	0.6239 (10)	0.684 (3)	0.913 (2)	0.054 (5)
H701	0.6406	0.6954	0.9381	0.081*
H702	0.6095	0.7195	0.9328	0.081*
O71	0.5591 (9)	0.743 (3)	0.818 (2)	0.057
O72	0.5904 (9)	0.912 (3)	0.745 (2)	0.056
O73	0.5879 (10)	0.859 (2)	0.911 (2)	0.058
O74	0.6565 (9)	0.922 (3)	0.755 (2)	0.057
O75	0.6609 (9)	0.863 (2)	0.910 (2)	0.053 (8)
O76	0.6134 (9)	0.628 (2)	0.7759 (19)	0.050
O77	0.6797 (9)	0.723 (3)	0.790 (2)	0.0581 (19)
O78	0.1518 (15)	0.260 (4)	0.654 (3)	0.105 (16)
O79	0.1561 (16)	0.974 (4)	0.935 (3)	0.108 (19)
P1	0.5691 (2)	0.6981 (5)	0.3284 (4)	0.0098 (15)
P2	0.6648 (2)	0.7275 (5)	0.3956 (5)	0.0108 (15)
La1	0.62259 (6)	0.79087 (17)	0.80584 (14)	0.0305 (5)
W1	0.57901 (4)	0.89985 (10)	0.22976 (8)	0.0207 (3)
W2	0.55108 (4)	0.91243 (10)	0.40149 (8)	0.0209 (3)
W3	0.60039 (4)	0.67885 (10)	0.15107 (8)	0.0215 (3)
W4	0.56294 (4)	0.50604 (10)	0.43957 (9)	0.0236 (3)
W5	0.50976 (4)	0.73640 (11)	0.18773 (9)	0.0242 (3)
W6	0.64230 (4)	0.94119 (10)	0.46388 (9)	0.0221 (3)
W7	0.63433 (4)	0.73626 (11)	0.57496 (8)	0.0244 (3)
W8	0.67013 (4)	0.92607 (10)	0.29179 (9)	0.0223 (3)
W9	0.68363 (4)	0.51804 (10)	0.31551 (9)	0.0221 (3)
W10	0.54323 (4)	0.70732 (11)	0.51205 (8)	0.0236 (3)
W11	0.65356 (4)	0.53429 (10)	0.50413 (8)	0.0227 (3)
W12	0.48205 (4)	0.74869 (11)	0.36126 (9)	0.0255 (3)
W13	0.72048 (4)	0.82117 (12)	0.52674 (10)	0.0309 (4)
W14	0.69141 (4)	0.70478 (11)	0.21390 (8)	0.0223 (3)
W15	0.50225 (4)	0.54639 (11)	0.28848 (9)	0.0248 (3)
W16	0.74009 (4)	0.61792 (11)	0.45522 (10)	0.0274 (3)
W17	0.59310 (4)	0.49051 (10)	0.25086 (9)	0.0214 (3)
W18	0.74801 (4)	0.80634 (12)	0.35323 (10)	0.0299 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.060 (19)	0.054 (19)	0.036 (18)	−0.006 (16)	−0.012 (15)	0.024 (15)
C2	0.023 (17)	0.06 (2)	0.05 (2)	−0.004 (18)	0.005 (17)	0.03 (2)
C3	0.025 (15)	0.058 (19)	0.048 (18)	−0.021 (14)	0.001 (14)	0.015 (16)
C4	0.05 (3)	0.08 (3)	0.03 (2)	0.01 (2)	−0.01 (2)	0.03 (2)
C5	0.05 (3)	0.092	0.10 (4)	0.01 (3)	0.02 (3)	−0.01 (3)
C6	0.11 (5)	0.05 (4)	0.08 (5)	−0.03 (4)	0.01 (4)	0.01 (3)
C7	0.07 (2)	0.07 (3)	0.06 (3)	−0.02 (2)	0.03 (2)	0.01 (2)
C11	0.10 (5)	0.07 (4)	0.04 (3)	0.02 (4)	0.00 (3)	0.00 (3)
C12	0.04 (3)	0.09 (4)	0.03 (3)	0.02 (3)	−0.02 (2)	0.00 (3)
C13	0.10 (3)	0.07 (3)	0.04 (2)	0.02 (2)	0.01 (2)	−0.01 (2)
C14	0.09 (4)	0.09 (4)	0.07 (3)	0.04 (3)	−0.03 (3)	0.01 (3)
C15	0.08 (4)	0.11 (4)	0.14 (5)	−0.03 (4)	−0.02 (4)	0.00 (4)
C16	0.04 (2)	0.06 (3)	0.08 (3)	−0.02 (2)	−0.01 (2)	−0.01 (3)
C17	0.12 (4)	0.10 (4)	0.06 (3)	0.02 (4)	0.05 (3)	−0.01 (3)
C21	0.06 (3)	0.05 (3)	0.09 (4)	0.02 (3)	0.02 (3)	0.01 (3)
C22	0.07 (3)	0.08 (3)	0.10 (3)	−0.02 (2)	−0.02 (2)	−0.03 (2)
C23	0.08 (3)	0.06 (3)	0.11 (4)	0.01 (3)	−0.03 (3)	0.03 (3)
C24	0.05 (3)	0.06 (3)	0.09 (4)	0.01 (2)	−0.01 (3)	−0.02 (3)
C25	0.11 (4)	0.04 (3)	0.07 (4)	−0.02 (3)	−0.01 (3)	0.02 (3)
C26	0.19 (6)	0.14 (5)	0.10 (5)	0.04 (4)	0.02 (4)	0.02 (4)
C27	0.11 (6)	0.20 (11)	0.04 (4)	−0.01 (7)	−0.02 (4)	0.00 (5)
C30	0.056 (13)	0.08 (2)	0.08 (2)	−0.010 (16)	−0.010 (11)	−0.010 (18)
C31	0.08 (3)	0.10 (4)	0.08 (4)	0.04 (3)	−0.01 (3)	0.01 (3)
C32	0.08 (3)	0.09 (3)	0.07 (3)	0.00 (2)	−0.03 (2)	−0.02 (2)
C40	0.067 (18)	0.062 (19)	0.063 (16)	0.003 (13)	−0.010 (14)	−0.004 (17)
C41	0.05 (3)	0.08 (3)	0.08 (4)	0.00 (3)	0.01 (3)	0.03 (3)
C42	0.116	0.106	0.115	0.004 (19)	−0.003 (19)	0.009 (19)
C50	0.067 (13)	0.063 (7)	0.067 (12)	0.000 (9)	−0.001 (9)	−0.006 (10)
C51	0.043 (17)	0.048 (19)	0.06 (2)	0.017 (15)	−0.019 (16)	0.011 (16)
C52	0.12 (3)	0.07 (3)	0.09 (3)	0.01 (3)	−0.01 (3)	0.02 (3)
C60	0.084	0.07 (2)	0.06 (2)	−0.023 (14)	0.00 (2)	0.000 (19)
C61	0.04 (3)	0.10 (4)	0.10 (3)	0.00 (3)	0.02 (2)	0.02 (3)
C62	0.06 (2)	0.08 (3)	0.09 (2)	−0.03 (2)	−0.015 (19)	−0.01 (2)
C70	0.03 (2)	0.07 (2)	0.042 (14)	0.00 (2)	−0.01 (2)	−0.01 (2)
C71	0.07 (2)	0.07 (2)	0.06 (2)	−0.004 (17)	0.019 (17)	−0.001 (17)
C72	0.06 (2)	0.08 (3)	0.08 (3)	0.01 (2)	0.01 (2)	0.01 (2)
C80	0.032 (15)	0.041 (11)	0.044 (15)	−0.009 (13)	0.009 (13)	0.003 (12)
C81	0.097	0.093	0.095	0.02 (3)	0.01 (3)	0.002
C82	0.066 (18)	0.064 (18)	0.062 (18)	−0.005 (10)	0.006 (10)	−0.007 (10)
C90	0.06 (2)	0.11 (4)	0.07 (3)	0.04 (2)	0.008 (18)	0.04 (3)
C91	0.102	0.104	0.114	−0.001 (19)	0.004 (19)	0.005 (19)
C92	0.115	0.102	0.104	−0.007 (19)	−0.009 (19)	0.005 (19)
C100	0.03 (2)	0.09 (4)	0.12 (3)	0.02 (2)	−0.037 (19)	0.01 (3)
C101	0.120	0.125	0.117	0.01 (6)	−0.06 (5)	−0.02 (6)
C102	0.05 (3)	0.123	0.07 (3)	0.03 (3)	0.02 (3)	0.00 (3)
C110	0.139	0.139	0.138	0.01 (2)	0.00 (2)	0.00 (2)
C111	0.148	0.149	0.144	0.00 (2)	0.00 (2)	0.00 (2)
C112	0.13 (4)	0.13 (4)	0.14 (4)	0.00 (2)	0.01 (2)	0.01 (2)
N2	0.060 (10)	0.04 (2)	0.11 (4)	−0.001 (19)	−0.014 (18)	−0.02 (3)
N3	0.066	0.071 (19)	0.063 (19)	0.006 (13)	−0.011 (13)	0.003 (16)
N4	0.05 (2)	0.05 (2)	0.065	−0.001 (18)	−0.002 (14)	0.014 (17)
N5	0.070 (15)	0.062	0.055 (17)	−0.011 (12)	0.003 (12)	−0.014 (14)
N6	0.06 (2)	0.07 (2)	0.033 (15)	−0.01 (2)	−0.030 (18)	0.001 (14)
N7	0.10 (3)	0.042 (12)	0.022 (19)	0.00 (2)	0.02 (2)	0.000 (13)
N8	0.076 (17)	0.10 (2)	0.08 (2)	0.029 (16)	0.009 (14)	0.000 (17)
N10	0.08 (3)	0.03 (2)	0.020 (19)	0.00 (2)	0.007 (19)	0.011 (16)
N11	0.030 (18)	0.05 (2)	0.08 (3)	−0.003 (18)	0.00 (2)	0.01 (2)
N12	0.08 (3)	0.07 (3)	0.09 (3)	0.02 (3)	0.01 (3)	0.06 (3)
N14	0.05 (2)	0.06 (3)	0.08 (2)	−0.024 (19)	−0.013 (19)	0.02 (2)
N15	0.07 (2)	0.08 (2)	0.07 (2)	−0.014 (17)	−0.006 (17)	0.008 (17)
O1	0.021	0.028	0.023 (9)	0.000 (7)	0.006 (7)	−0.003 (8)
O2	0.028 (8)	0.019	0.016 (9)	0.003 (7)	0.005 (7)	0.003 (7)
O3	0.023 (8)	0.020 (8)	0.023 (9)	0.010 (7)	−0.006 (7)	−0.005 (7)
O4	0.028	0.020 (8)	0.015 (8)	0.001 (7)	0.005 (7)	0.012 (7)
O5	0.031	0.028	0.026	−0.002 (5)	0.001 (5)	0.001 (5)
O6	0.039 (9)	0.026 (9)	0.014 (9)	−0.003 (8)	−0.005 (7)	−0.001 (7)
O7	0.020 (6)	0.022 (6)	0.012 (6)	−0.001 (4)	−0.007 (4)	−0.003 (4)
O8	0.039 (10)	0.028 (10)	0.038 (10)	0.008 (8)	−0.010 (8)	0.001 (8)
O9	0.027 (7)	0.023 (7)	0.029 (7)	0.004 (5)	−0.004 (5)	−0.004 (5)
O10	0.018 (6)	0.023 (6)	0.015 (6)	0.002 (5)	−0.002 (4)	−0.004 (5)
O11	0.025 (11)	0.031 (12)	0.028 (12)	0.004 (10)	0.013 (10)	0.002 (10)
O12	0.022 (8)	0.016 (8)	0.014 (8)	0.002 (7)	0.002 (7)	0.010 (7)
O13	0.028	0.024	0.026	0.005	0.000 (10)	0.001 (10)
O14	0.035 (13)	0.037 (14)	0.023 (13)	0.013 (12)	−0.002 (11)	−0.016 (12)
O15	0.018 (6)	0.019 (6)	0.017	0.000 (4)	−0.009 (4)	0.002 (5)
O16	0.031 (9)	0.027 (9)	0.020 (9)	0.008 (8)	0.003 (7)	0.003 (8)
O17	0.024 (11)	0.054 (14)	0.024 (12)	0.002 (11)	0.012 (10)	0.013 (11)
O18	0.031 (9)	0.020 (8)	0.016 (9)	0.002 (7)	−0.009 (7)	−0.001 (7)
O19	0.019 (8)	0.029	0.024 (9)	0.004 (7)	0.003 (7)	0.001 (8)
O20	0.035 (7)	0.034 (8)	0.030 (8)	0.000 (5)	−0.004 (5)	0.000 (5)
O21	0.014	0.024 (8)	0.013 (8)	−0.005 (7)	−0.002 (7)	−0.003 (7)
O22	0.016 (8)	0.035 (9)	0.024 (9)	−0.004 (7)	−0.011 (7)	0.001 (8)
O23	0.022 (7)	0.028 (7)	0.031 (7)	0.000 (5)	−0.001 (5)	−0.004 (5)
O24	0.021 (6)	0.021 (6)	0.018 (7)	−0.004 (5)	−0.005 (4)	−0.002 (5)
O25	0.023	0.029	0.030	−0.003 (8)	0.002 (8)	−0.006 (8)
O26	0.043 (10)	0.032 (10)	0.031 (10)	0.002 (8)	0.000 (8)	−0.002 (8)
O27	0.021 (8)	0.014 (8)	0.025 (9)	0.010 (7)	−0.010 (7)	0.001 (7)
O28	0.043 (9)	0.019 (9)	0.025 (9)	0.003 (8)	0.010 (8)	0.011 (7)
O29	0.013 (6)	0.017 (6)	0.022 (6)	−0.002 (4)	−0.004 (4)	0.002 (5)
O30	0.041 (10)	0.037 (10)	0.032 (10)	−0.006 (8)	−0.001 (8)	−0.009 (8)
O31	0.028 (11)	0.028 (12)	0.049 (15)	0.011 (10)	−0.013 (11)	0.010 (11)
O32	0.025 (12)	0.029	0.022 (14)	−0.005 (11)	0.004 (11)	−0.001 (12)
O33	0.020	0.025 (9)	0.020 (9)	0.005 (7)	0.004 (7)	0.005 (7)
O34	0.028	0.042 (13)	0.020 (12)	0.000 (11)	0.000 (10)	0.010 (11)
O35	0.029	0.015 (8)	0.022 (9)	−0.001 (7)	0.002 (7)	0.002 (7)
O36	0.016	0.024	0.022	0.004 (5)	−0.002 (5)	−0.001 (5)
O37	0.034	0.026	0.025	0.000 (3)	−0.003 (3)	0.000 (3)
O38	0.017	0.021	0.018	−0.001 (3)	−0.003 (3)	−0.001 (3)
O39	0.038	0.019 (9)	0.026 (9)	0.005 (8)	−0.003 (8)	0.003 (7)
O40	0.025 (9)	0.030 (9)	0.024 (9)	0.000 (8)	0.013 (7)	−0.003 (8)
O41	0.024 (9)	0.043 (10)	0.030 (10)	0.000 (8)	0.006 (8)	0.000 (8)
O42	0.052 (10)	0.054 (10)	0.051 (10)	−0.002 (5)	−0.003 (5)	−0.002 (5)
O43	0.013 (6)	0.021 (6)	0.021 (6)	−0.002 (4)	−0.004 (4)	0.003 (5)
O44	0.039 (9)	0.028 (9)	0.024 (9)	0.011 (8)	0.006 (8)	−0.007 (8)
O45	0.019 (10)	0.027 (12)	0.049 (14)	−0.007 (10)	0.020 (10)	−0.011 (11)
O46	0.015 (6)	0.021 (6)	0.017 (6)	0.000 (4)	0.003 (4)	−0.002 (5)
O47	0.027 (12)	0.044 (16)	0.041 (16)	−0.006 (12)	0.010 (12)	0.011 (13)
O48	0.022 (8)	0.027 (9)	0.023 (9)	−0.001 (7)	0.014 (7)	0.003 (8)
O49	0.032 (9)	0.028 (9)	0.028 (10)	−0.002 (8)	−0.007 (8)	0.001 (8)
O50	0.027 (11)	0.041 (16)	0.021 (14)	0.006 (12)	0.004 (11)	−0.006 (12)
O51	0.031 (8)	0.044 (10)	0.042 (10)	−0.005 (8)	0.006 (8)	0.010 (8)
O52	0.044 (15)	0.025 (13)	0.028 (15)	0.011 (12)	0.015 (13)	−0.004 (11)
O53	0.042 (10)	0.041 (10)	0.033 (10)	0.008 (8)	0.004 (8)	0.007 (8)
O54	0.016 (8)	0.036 (9)	0.035 (10)	−0.002 (8)	−0.007 (7)	0.007 (8)
O55	0.015 (11)	0.018 (12)	0.042 (16)	0.003 (10)	0.003 (10)	−0.001 (11)
O56	0.051 (11)	0.046 (11)	0.054 (12)	0.005 (9)	0.000 (9)	−0.011 (9)
O57	0.042 (10)	0.023 (9)	0.031 (10)	0.002 (8)	0.009 (8)	0.018 (8)
O58	0.046 (10)	0.040 (10)	0.020 (7)	0.006 (8)	−0.004 (8)	0.004 (8)
O59	0.026 (9)	0.041 (10)	0.030 (10)	−0.004 (8)	−0.004 (8)	−0.011 (8)
O60	0.042 (13)	0.022 (12)	0.053 (15)	0.001 (11)	0.003 (12)	0.003 (12)
O61	0.057 (7)	0.059	0.057 (7)	0.001 (5)	−0.003 (5)	0.001 (5)
O62	0.035 (10)	0.052 (11)	0.048 (11)	−0.001 (8)	0.014 (8)	0.014 (9)
O70	0.059	0.060	0.043 (15)	0.007 (14)	0.005 (13)	0.008 (14)
O71	0.057	0.056	0.057	−0.003 (9)	0.000 (8)	0.001 (9)
O72	0.056	0.057	0.056	0.004 (9)	−0.001 (8)	0.002 (9)
O73	0.058	0.058	0.058	−0.005 (9)	0.000 (9)	0.005 (9)
O74	0.057	0.056	0.057	0.008	−0.003 (16)	0.006 (16)
O75	0.049 (11)	0.059 (11)	0.051 (11)	0.002 (9)	−0.003 (9)	−0.002 (8)
O76	0.050	0.050	0.050	−0.003 (9)	0.001 (8)	−0.005 (8)
O77	0.057 (6)	0.059	0.059	0.003 (5)	0.000 (5)	−0.001 (5)
O78	0.111 (18)	0.105 (18)	0.099 (17)	−0.002 (10)	0.001 (10)	−0.002 (10)
O79	0.12 (2)	0.10 (2)	0.10 (2)	−0.015 (18)	−0.015 (18)	−0.010 (18)
P1	0.012 (3)	0.008 (3)	0.009 (4)	0.001 (3)	0.001 (3)	−0.001 (3)
P2	0.016 (4)	0.009 (3)	0.008 (4)	−0.001 (3)	0.003 (3)	0.003 (3)
La1	0.0296 (11)	0.0340 (12)	0.028	−0.0007 (10)	0.0020 (9)	−0.0013 (10)
W1	0.0248 (7)	0.0205 (7)	0.0169 (7)	−0.0012 (6)	−0.0025 (5)	0.0041 (6)
W2	0.0223 (7)	0.0184 (7)	0.0220 (8)	0.0031 (6)	0.0013 (6)	−0.0018 (6)
W3	0.0250 (7)	0.0263 (7)	0.0133 (7)	0.0000 (6)	0.0014 (6)	−0.0025 (6)
W4	0.0253 (7)	0.0206 (7)	0.0248 (8)	−0.0014 (6)	0.0030 (6)	0.0073 (6)
W5	0.0168 (6)	0.0293 (8)	0.0265 (8)	−0.0017 (6)	−0.0061 (6)	0.0011 (7)
W6	0.0258 (7)	0.0186 (7)	0.0219 (8)	0.0015 (6)	−0.0028 (6)	−0.0059 (6)
W7	0.0368 (8)	0.0254 (7)	0.0110 (7)	0.0058 (6)	−0.0017 (6)	−0.0020 (6)
W8	0.0213 (7)	0.0195 (7)	0.0261 (8)	−0.0037 (6)	−0.0005 (6)	0.0032 (6)
W9	0.0229 (7)	0.0193 (7)	0.0241 (8)	0.0028 (6)	0.0017 (6)	−0.0047 (6)
W10	0.0269 (7)	0.0268 (8)	0.0171 (7)	0.0041 (6)	0.0069 (6)	0.0033 (6)
W11	0.0287 (7)	0.0206 (7)	0.0188 (7)	0.0046 (6)	−0.0012 (6)	0.0044 (6)
W12	0.0116 (6)	0.0308 (8)	0.0340 (9)	0.0017 (6)	0.0022 (6)	−0.0033 (7)
W13	0.0239 (7)	0.0347 (9)	0.0341 (9)	0.0037 (7)	−0.0122 (6)	−0.0134 (7)
W14	0.0207 (7)	0.0258 (7)	0.0202 (7)	−0.0017 (6)	0.0060 (6)	−0.0014 (6)
W15	0.0160 (6)	0.0227 (7)	0.0358 (9)	−0.0038 (6)	−0.0015 (6)	−0.0016 (7)
W16	0.0182 (7)	0.0288 (8)	0.0353 (9)	0.0065 (6)	−0.0062 (6)	−0.0037 (7)
W17	0.0214 (7)	0.0189 (7)	0.0238 (8)	−0.0014 (6)	0.0004 (6)	−0.0055 (6)
W18	0.0140 (6)	0.0342 (9)	0.0415 (10)	−0.0037 (6)	−0.0021 (6)	−0.0016 (8)

Geometric parameters (Å, º)

C1—N10	1.35 (3)	C102—H97B	0.9600
C1—C2	1.38 (3)	C102—H97C	0.9600
C1—H1	0.9300	C110—O79	1.15 (6)
C2—C3	1.38 (3)	C110—N15	1.25 (6)
C2—H2	0.9300	C110—H110	0.9300
C3—C4	1.41 (4)	C111—N15	1.47 (5)
C3—C7	1.56 (8)	C111—H11A	0.9600
C4—C5	1.36 (4)	C111—H11B	0.9600
C4—H4	0.9300	C111—H11C	0.9600
C5—N10	1.37 (3)	C112—N15	1.50 (9)
C5—H5	0.9300	C112—H11D	0.9600
C6—N10	1.48 (3)	C112—H11E	0.9600
C6—H6A	0.9600	C112—H11F	0.9600
C6—H6B	0.9600	O1—P1	1.58 (3)
C6—H6C	0.9600	O1—W4	2.35 (3)
C7—H7A	0.9600	O1—W10	2.38 (3)
C7—H7B	0.9600	O2—W2	1.91 (2)
C7—H7C	0.9600	O2—W1	1.95 (2)
C11—N11	1.33 (4)	O3—W5	1.91 (3)
C11—C12	1.36 (4)	O3—W1	1.93 (2)
C11—H11	0.9300	O4—W2	1.87 (2)
C12—C13	1.42 (4)	O4—W10	1.95 (2)
C12—H12	0.9300	O5—P2	1.56 (3)
C13—C14	1.37 (4)	O5—W9	2.32 (3)
C13—C17	1.50 (5)	O5—W14	2.37 (3)
C14—C15	1.35 (5)	O6—W8	1.88 (3)
C14—H14	0.9300	O6—W6	1.91 (3)
C15—N11	1.34 (4)	O7—W10	1.89 (2)
C15—H15	0.9300	O7—W7	1.90 (2)
C16—N11	1.47 (4)	O8—W13	1.78 (3)
C16—H16A	0.9600	O8—W7	2.03 (3)
C16—H16B	0.9600	O9—W11	1.88 (3)
C16—H16C	0.9600	O9—W9	1.95 (3)
C17—H17A	0.9600	O10—W11	1.86 (2)
C17—H17B	0.9600	O10—W7	1.94 (2)
C17—H17C	0.9600	O11—W10	1.85 (3)
C21—N12	1.35 (4)	O11—W4	1.96 (3)
C21—C22	1.37 (4)	O12—P1	1.52 (2)
C21—H21	0.9300	O12—W17	2.37 (2)
C22—C23	1.37 (5)	O12—W3	2.40 (2)
C22—H22	0.9300	O13—W17	1.88 (3)
C23—C24	1.37 (4)	O13—W3	1.93 (3)
C23—C27	1.51 (4)	O14—W12	1.90 (3)
C24—C25	1.37 (4)	O14—W2	1.95 (3)
C24—H24	0.9300	O15—W14	1.85 (2)
C25—N12	1.36 (4)	O15—W3	1.95 (2)
C25—H25	0.9300	O16—W14	1.88 (3)
C26—N12	1.43 (6)	O16—W9	1.93 (3)
C26—H26A	0.9600	O17—W10	1.77 (3)
C26—H26B	0.9600	O17—W12	2.01 (3)
C26—H26C	0.9600	O18—W8	1.84 (2)
C27—H27A	0.9600	O18—W18	1.94 (2)
C27—H27B	0.9600	O19—P2	1.58 (3)
C27—H27C	0.9600	O19—W7	2.32 (3)
C30—O71	1.28 (3)	O19—W11	2.35 (3)
C30—N2	1.34 (3)	O20—W1	1.86 (3)
C30—H30	0.9300	O20—W8	1.94 (3)
C31—N2	1.45 (4)	O21—W14	1.82 (2)
C31—H31A	0.9600	O21—W8	1.96 (2)
C31—H31B	0.9600	O22—W4	1.88 (2)
C31—H31C	0.9600	O22—W11	1.91 (2)
C32—N2	1.48 (4)	O23—W13	1.81 (3)
C32—H32A	0.9600	O23—W18	2.01 (3)
C32—H32B	0.9600	O24—W9	1.83 (2)
C32—H32C	0.9600	O24—W17	1.95 (2)
C40—O72	1.28 (4)	O25—P1	1.53 (3)
C40—N3	1.32 (4)	O25—W2	2.38 (3)
C40—H40	0.9300	O25—W1	2.41 (3)
C41—N3	1.49 (5)	O26—W9	1.87 (3)
C41—H41A	0.9600	O26—W16	1.95 (3)
C41—H41B	0.9600	O27—W16	1.85 (3)
C41—H41C	0.9600	O27—W11	1.99 (2)
C42—N3	1.46 (5)	O28—P1	1.62 (3)
C42—H42A	0.9600	O28—W12	2.33 (3)
C42—H42B	0.9600	O28—W5	2.36 (3)
C42—H42C	0.9600	O28—W15	2.38 (3)
C50—O73	1.24 (3)	O29—W5	1.86 (2)
C50—N4	1.33 (4)	O29—W12	2.00 (3)
C50—H50	0.9300	O30—W4	1.86 (3)
C51—N4	1.46 (3)	O30—W15	1.95 (3)
C51—H51A	0.9600	O31—W2	1.72 (3)
C51—H51B	0.9600	O32—W17	1.72 (3)
C51—H51C	0.9600	O33—W9	1.65 (3)
C52—N4	1.43 (5)	O34—W4	1.89 (3)
C52—H52A	0.9600	O34—W17	1.90 (3)
C52—H52B	0.9600	O35—W15	1.85 (3)
C52—H52C	0.9600	O35—W17	1.97 (2)
C60—O74	1.19 (4)	O36—W5	1.87 (2)
C60—N5	1.32 (4)	O36—W3	1.96 (2)
C60—H60	0.9300	O37—W6	1.90 (3)
C61—N5	1.38 (5)	O37—W13	1.91 (3)
C61—H61A	0.9600	O38—W2	1.89 (2)
C61—H61B	0.9600	O38—W6	1.91 (2)
C61—H61C	0.9600	O39—P2	1.66 (3)
C62—N5	1.42 (4)	O39—W18	2.30 (3)
C62—H62A	0.9600	O39—W13	2.35 (3)
C62—H62B	0.9600	O39—W16	2.35 (3)
C62—H62C	0.9600	O40—W14	1.63 (3)
C70—O75	1.22 (3)	O41—W3	1.69 (3)
C70—N6	1.34 (3)	O42—W5	1.70 (4)
C70—H70	0.9300	O43—W15	1.92 (2)
C71—N6	1.47 (4)	O43—W12	1.96 (2)
C71—H71A	0.9600	O44—W14	1.86 (3)
C71—H71B	0.9600	O44—W18	1.96 (3)
C71—H71C	0.9600	O45—W18	1.91 (3)
C72—N6	1.45 (4)	O45—W16	1.99 (3)
C72—H72A	0.9600	O46—W5	1.85 (2)
C72—H72B	0.9600	O46—W15	1.99 (2)
C72—H72C	0.9600	O47—W15	1.62 (3)
C80—O76	1.23 (3)	O48—W4	1.69 (3)
C80—N7	1.34 (3)	O49—W11	1.70 (3)
C80—H80	0.9300	O50—W12	1.69 (3)
C81—N7	1.42 (4)	O51—W18	1.66 (3)
C81—H81A	0.9600	O52—W3	1.85 (3)
C81—H81B	0.9600	O52—W1	1.98 (3)
C81—H81C	0.9600	O53—W16	1.70 (3)
C82—N7	1.46 (4)	O54—W1	1.74 (3)
C82—H82A	0.9600	O55—P2	1.55 (3)
C82—H82B	0.9600	O55—W8	2.34 (3)
C82—H82C	0.9600	O55—W6	2.39 (3)
C90—O77	1.21 (3)	O56—W6	1.69 (4)
C90—N8	1.32 (4)	O57—W7	1.87 (3)
C90—H90	0.9300	O57—W6	1.93 (3)
C91—N8	1.47 (5)	O58—W7	1.67 (3)
C91—H91A	0.9600	La1—O58	2.70 (3)
C91—H91B	0.9600	O59—W16	1.87 (3)
C91—H91C	0.9600	O59—W13	1.89 (3)
C92—N8	1.47 (5)	O60—W8	1.74 (3)
C92—H92A	0.9600	O61—W13	1.62 (4)
C92—H92B	0.9600	O62—W10	1.65 (3)
C92—H92C	0.9600	La1—O70	2.53 (4)
C100—O78	1.25 (4)	O70—H701	0.8200
C100—N14	1.32 (4)	O70—H702	0.8534
C100—H100	0.9300	La1—O71	2.58 (4)
C101—N14	1.52 (8)	La1—O72	2.46 (4)
C101—H96A	0.9600	La1—O73	2.57 (4)
C101—H96B	0.9600	La1—O74	2.53 (4)
C101—H96C	0.9600	La1—O75	2.65 (4)
C102—N14	1.45 (4)	La1—O76	2.49 (3)
C102—H97A	0.9600	La1—O77	2.46 (4)
N10—C1—C2	115 (4)	C90—O77—La1	138 (4)
N10—C1—H1	122.7	O12—P1—O25	111.1 (14)
C2—C1—H1	122.7	O12—P1—O1	108.3 (13)
C1—C2—C3	127 (5)	O25—P1—O1	108.4 (15)
C1—C2—H2	116.5	O12—P1—O28	110.8 (14)
C3—C2—H2	116.5	O25—P1—O28	108.7 (14)
C2—C3—C4	111 (4)	O1—P1—O28	109.5 (14)
C2—C3—C7	123 (4)	O55—P2—O5	110.7 (16)
C4—C3—C7	125 (4)	O55—P2—O19	111.5 (15)
C5—C4—C3	126 (5)	O5—P2—O19	111.8 (15)
C5—C4—H4	117.0	O55—P2—O39	107.5 (14)
C3—C4—H4	117.0	O5—P2—O39	106.5 (15)
C4—C5—N10	115 (5)	O19—P2—O39	108.6 (14)
C4—C5—H5	122.6	O72—La1—O77	134.9 (13)
N10—C5—H5	122.6	O72—La1—O76	122.1 (12)
N10—C6—H6A	109.5	O77—La1—O76	73.1 (12)
N10—C6—H6B	109.5	O72—La1—O70	145.3 (13)
H6A—C6—H6B	109.5	O77—La1—O70	79.5 (13)
N10—C6—H6C	109.5	O76—La1—O70	64.6 (13)
H6A—C6—H6C	109.5	O72—La1—O74	62.5 (12)
H6B—C6—H6C	109.5	O77—La1—O74	78.2 (12)
C3—C7—H7A	109.5	O76—La1—O74	137.1 (12)
C3—C7—H7B	109.5	O70—La1—O74	139.4 (13)
H7A—C7—H7B	109.5	O72—La1—O73	77.8 (13)
C3—C7—H7C	109.5	O77—La1—O73	136.5 (13)
H7A—C7—H7C	109.5	O76—La1—O73	118.0 (12)
H7B—C7—H7C	109.5	O70—La1—O73	70.6 (12)
N11—C11—C12	127 (5)	O74—La1—O73	104.7 (12)
N11—C11—H11	116.7	O72—La1—O71	75.6 (12)
C12—C11—H11	116.7	O77—La1—O71	139.9 (13)
C11—C12—C13	114 (4)	O76—La1—O71	67.5 (12)
C11—C12—H12	122.9	O70—La1—O71	77.3 (12)
C13—C12—H12	122.9	O74—La1—O71	138.0 (12)
C14—C13—C12	117 (5)	O73—La1—O71	62.5 (12)
C14—C13—C17	123 (3)	O72—La1—O75	108.9 (12)
C12—C13—C17	120 (3)	O77—La1—O75	74.9 (12)
C15—C14—C13	123 (6)	O76—La1—O75	128.8 (11)
C15—C14—H14	118.3	O70—La1—O75	71.1 (12)
C13—C14—H14	118.3	O74—La1—O75	70.5 (13)
N11—C15—C14	117 (6)	O73—La1—O75	66.0 (11)
N11—C15—H15	121.4	O71—La1—O75	125.9 (12)
C14—C15—H15	121.4	O72—La1—O58	72.9 (11)
N11—C16—H16A	109.5	O77—La1—O58	74.7 (11)
N11—C16—H16B	109.5	O76—La1—O58	70.2 (11)
H16A—C16—H16B	109.5	O70—La1—O58	132.7 (11)
N11—C16—H16C	109.5	O74—La1—O58	71.9 (12)
H16A—C16—H16C	109.5	O73—La1—O58	148.3 (11)
H16B—C16—H16C	109.5	O71—La1—O58	98.2 (11)
C13—C17—H17A	109.5	O75—La1—O58	135.3 (11)
C13—C17—H17B	109.5	O72—La1—H702	127.0
H17A—C17—H17B	109.5	O77—La1—H702	96.7
C13—C17—H17C	109.5	O76—La1—H702	77.3
H17A—C17—H17C	109.5	O70—La1—H702	19.0
H17B—C17—H17C	109.5	O74—La1—H702	138.0
N12—C21—C22	120 (6)	O73—La1—H702	51.8
N12—C21—H21	120.2	O71—La1—H702	68.0
C22—C21—H21	120.2	O75—La1—H702	68.0
C23—C22—C21	123 (6)	O58—La1—H702	147.6
C23—C22—H22	118.6	O54—W1—O20	99.1 (13)
C21—C22—H22	118.6	O54—W1—O3	94.4 (11)
C24—C23—C22	113 (6)	O20—W1—O3	166.0 (12)
C24—C23—C27	123 (4)	O54—W1—O2	101.2 (12)
C22—C23—C27	123 (4)	O20—W1—O2	91.8 (12)
C23—C24—C25	125 (6)	O3—W1—O2	89.1 (10)
C23—C24—H24	117.4	O54—W1—O52	99.5 (13)
C25—C24—H24	117.4	O20—W1—O52	87.4 (13)
N12—C25—C24	117 (6)	O3—W1—O52	86.8 (11)
N12—C25—H25	121.6	O2—W1—O52	159.1 (11)
C24—C25—H25	121.6	O54—W1—O25	175.2 (11)
N12—C26—H26A	109.5	O20—W1—O25	82.2 (11)
N12—C26—H26B	109.5	O3—W1—O25	84.5 (10)
H26A—C26—H26B	109.5	O2—W1—O25	74.2 (10)
N12—C26—H26C	109.5	O52—W1—O25	85.1 (11)
H26A—C26—H26C	109.5	O31—W2—O4	104.2 (13)
H26B—C26—H26C	109.5	O31—W2—O38	97.0 (12)
C23—C27—H27A	109.5	O4—W2—O38	86.7 (11)
C23—C27—H27B	109.5	O31—W2—O2	95.1 (13)
H27A—C27—H27B	109.5	O4—W2—O2	160.7 (11)
C23—C27—H27C	109.5	O38—W2—O2	91.0 (11)
H27A—C27—H27C	109.5	O31—W2—O14	96.6 (12)
H27B—C27—H27C	109.5	O4—W2—O14	88.8 (12)
O71—C30—N2	121 (4)	O38—W2—O14	166.3 (11)
O71—C30—H30	119.6	O2—W2—O14	89.0 (12)
N2—C30—H30	119.6	O31—W2—O25	170.5 (13)
N2—C31—H31A	109.5	O4—W2—O25	85.2 (11)
N2—C31—H31B	109.5	O38—W2—O25	81.9 (10)
H31A—C31—H31B	109.5	O2—W2—O25	75.6 (10)
N2—C31—H31C	109.5	O14—W2—O25	84.9 (10)
H31A—C31—H31C	109.5	O41—W3—O52	100.1 (14)
H31B—C31—H31C	109.5	O41—W3—O13	100.9 (13)
N2—C32—H32A	109.5	O52—W3—O13	159.0 (12)
N2—C32—H32B	109.5	O41—W3—O15	98.5 (12)
H32A—C32—H32B	109.5	O52—W3—O15	86.6 (12)
N2—C32—H32C	109.5	O13—W3—O15	90.6 (11)
H32A—C32—H32C	109.5	O41—W3—O36	96.5 (12)
H32B—C32—H32C	109.5	O52—W3—O36	88.8 (12)
O72—C40—N3	118 (4)	O13—W3—O36	88.6 (11)
O72—C40—H40	120.8	O15—W3—O36	164.9 (11)
N3—C40—H40	120.8	O41—W3—O12	173.7 (12)
N3—C41—H41A	109.5	O52—W3—O12	86.2 (11)
N3—C41—H41B	109.5	O13—W3—O12	72.8 (10)
H41A—C41—H41B	109.5	O15—W3—O12	81.7 (9)
N3—C41—H41C	109.5	O36—W3—O12	83.7 (9)
H41A—C41—H41C	109.5	O48—W4—O30	98.2 (13)
H41B—C41—H41C	109.5	O48—W4—O22	97.7 (13)
N3—C42—H42A	109.5	O30—W4—O22	163.9 (13)
N3—C42—H42B	109.5	O48—W4—O34	101.3 (13)
H42A—C42—H42B	109.5	O30—W4—O34	86.4 (13)
N3—C42—H42C	109.5	O22—W4—O34	87.9 (12)
H42A—C42—H42C	109.5	O48—W4—O11	102.7 (12)
H42B—C42—H42C	109.5	O30—W4—O11	88.6 (13)
O73—C50—N4	116 (4)	O22—W4—O11	90.5 (12)
O73—C50—H50	122.1	O34—W4—O11	156.0 (12)
N4—C50—H50	122.1	O48—W4—O1	175.1 (11)
N4—C51—H51A	109.5	O30—W4—O1	83.2 (12)
N4—C51—H51B	109.5	O22—W4—O1	81.2 (10)
H51A—C51—H51B	109.5	O34—W4—O1	83.5 (11)
N4—C51—H51C	109.5	O11—W4—O1	72.6 (10)
H51A—C51—H51C	109.5	O42—W5—O46	95.8 (15)
H51B—C51—H51C	109.5	O42—W5—O29	100.5 (15)
N4—C52—H52A	109.5	O46—W5—O29	90.1 (10)
N4—C52—H52B	109.5	O42—W5—O36	100.3 (15)
H52A—C52—H52B	109.5	O46—W5—O36	85.9 (10)
N4—C52—H52C	109.5	O29—W5—O36	159.0 (11)
H52A—C52—H52C	109.5	O42—W5—O3	105.3 (15)
H52B—C52—H52C	109.5	O46—W5—O3	158.6 (11)
O74—C60—N5	123 (5)	O29—W5—O3	89.7 (10)
O74—C60—H60	118.5	O36—W5—O3	86.6 (10)
N5—C60—H60	118.5	O42—W5—O28	167.7 (14)
N5—C61—H61A	109.5	O46—W5—O28	73.9 (10)
N5—C61—H61B	109.5	O29—W5—O28	73.2 (10)
H61A—C61—H61B	109.5	O36—W5—O28	85.9 (10)
N5—C61—H61C	109.5	O3—W5—O28	85.6 (10)
H61A—C61—H61C	109.5	O56—W6—O37	98.9 (15)
H61B—C61—H61C	109.5	O56—W6—O6	101.0 (16)
N5—C62—H62A	109.5	O37—W6—O6	89.3 (12)
N5—C62—H62B	109.5	O56—W6—O38	96.4 (14)
H62A—C62—H62B	109.5	O37—W6—O38	164.0 (11)
N5—C62—H62C	109.5	O6—W6—O38	92.5 (11)
H62A—C62—H62C	109.5	O56—W6—O57	101.1 (16)
H62B—C62—H62C	109.5	O37—W6—O57	83.1 (12)
O75—C70—N6	128 (4)	O6—W6—O57	157.5 (12)
O75—C70—H70	115.9	O38—W6—O57	89.3 (12)
N6—C70—H70	115.9	O56—W6—O55	172.2 (15)
N6—C71—H71A	109.5	O37—W6—O55	83.2 (10)
N6—C71—H71B	109.5	O6—W6—O55	71.4 (10)
H71A—C71—H71B	109.5	O38—W6—O55	82.4 (9)
N6—C71—H71C	109.5	O57—W6—O55	86.7 (11)
H71A—C71—H71C	109.5	O58—W7—O57	99.7 (14)
H71B—C71—H71C	109.5	O58—W7—O7	101.3 (13)
N6—C72—H72A	109.5	O57—W7—O7	88.7 (12)
N6—C72—H72B	109.5	O58—W7—O10	101.7 (13)
H72A—C72—H72B	109.5	O57—W7—O10	158.2 (12)
N6—C72—H72C	109.5	O7—W7—O10	91.0 (10)
H72A—C72—H72C	109.5	O58—W7—O8	95.0 (14)
H72B—C72—H72C	109.5	O57—W7—O8	83.6 (12)
O76—C80—N7	127 (4)	O7—W7—O8	163.0 (12)
O76—C80—H80	116.7	O10—W7—O8	90.6 (11)
N7—C80—H80	116.7	O58—W7—O19	173.5 (12)
N7—C81—H81A	109.5	O57—W7—O19	86.4 (12)
N7—C81—H81B	109.5	O7—W7—O19	81.0 (9)
H81A—C81—H81B	109.5	O10—W7—O19	72.0 (10)
N7—C81—H81C	109.5	O8—W7—O19	83.4 (11)
H81A—C81—H81C	109.5	O60—W8—O18	97.3 (13)
H81B—C81—H81C	109.5	O60—W8—O6	100.2 (14)
N7—C82—H82A	109.5	O18—W8—O6	89.6 (11)
N7—C82—H82B	109.5	O60—W8—O20	99.1 (14)
H82A—C82—H82B	109.5	O18—W8—O20	163.2 (12)
N7—C82—H82C	109.5	O6—W8—O20	91.0 (12)
H82A—C82—H82C	109.5	O60—W8—O21	103.2 (13)
H82B—C82—H82C	109.5	O18—W8—O21	83.7 (10)
O77—C90—N8	140 (6)	O6—W8—O21	156.2 (11)
O77—C90—H90	110.1	O20—W8—O21	89.1 (11)
N8—C90—H90	110.1	O60—W8—O55	173.2 (13)
N8—C91—H91A	109.5	O18—W8—O55	82.6 (10)
N8—C91—H91B	109.5	O6—W8—O55	73.0 (11)
H91A—C91—H91B	109.5	O20—W8—O55	81.5 (11)
N8—C91—H91C	109.5	O21—W8—O55	83.5 (10)
H91A—C91—H91C	109.5	O33—W9—O24	97.6 (12)
H91B—C91—H91C	109.5	O33—W9—O26	97.9 (12)
N8—C92—H92A	109.5	O24—W9—O26	164.3 (12)
N8—C92—H92B	109.5	O33—W9—O16	101.6 (12)
H92A—C92—H92B	109.5	O24—W9—O16	88.3 (11)
N8—C92—H92C	109.5	O26—W9—O16	90.9 (13)
H92A—C92—H92C	109.5	O33—W9—O9	101.4 (12)
H92B—C92—H92C	109.5	O24—W9—O9	85.3 (11)
O78—C100—N14	117 (5)	O26—W9—O9	89.3 (12)
O78—C100—H100	121.7	O16—W9—O9	156.8 (11)
N14—C100—H100	121.7	O33—W9—O5	174.5 (11)
N14—C101—H96A	109.5	O24—W9—O5	82.6 (10)
N14—C101—H96B	109.5	O26—W9—O5	82.2 (11)
H96A—C101—H96B	109.5	O16—W9—O5	73.0 (10)
N14—C101—H96C	109.5	O9—W9—O5	84.1 (10)
H96A—C101—H96C	109.5	O62—W10—O17	95.9 (15)
H96B—C101—H96C	109.5	O62—W10—O11	98.4 (15)
N14—C102—H97A	109.5	O17—W10—O11	89.8 (14)
N14—C102—H97B	109.5	O62—W10—O7	102.7 (15)
H97A—C102—H97B	109.5	O17—W10—O7	160.8 (11)
N14—C102—H97C	109.5	O11—W10—O7	92.6 (11)
H97A—C102—H97C	109.5	O62—W10—O4	102.2 (14)
H97B—C102—H97C	109.5	O17—W10—O4	84.9 (12)
O79—C110—N15	150 (10)	O11—W10—O4	159.2 (11)
O79—C110—H110	104.8	O7—W10—O4	86.2 (10)
N15—C110—H110	104.8	O62—W10—O1	171.6 (14)
N15—C111—H11A	109.5	O17—W10—O1	81.8 (11)
N15—C111—H11B	109.5	O11—W10—O1	73.7 (10)
H11A—C111—H11B	109.5	O7—W10—O1	80.6 (10)
N15—C111—H11C	109.5	O4—W10—O1	85.7 (10)
H11A—C111—H11C	109.5	O49—W11—O10	101.5 (12)
H11B—C111—H11C	109.5	O49—W11—O9	100.7 (13)
N15—C112—H11D	109.5	O10—W11—O9	157.8 (11)
N15—C112—H11E	109.5	O49—W11—O22	95.1 (13)
H11D—C112—H11E	109.5	O10—W11—O22	92.3 (11)
N15—C112—H11F	109.5	O9—W11—O22	84.5 (11)
H11D—C112—H11F	109.5	O49—W11—O27	100.9 (11)
H11E—C112—H11F	109.5	O10—W11—O27	87.6 (10)
C30—N2—C31	120 (4)	O9—W11—O27	89.4 (11)
C30—N2—C32	120 (4)	O22—W11—O27	163.7 (11)
C31—N2—C32	120 (4)	O49—W11—O19	173.3 (12)
C40—N3—C42	119 (4)	O10—W11—O19	72.4 (10)
C40—N3—C41	118 (4)	O9—W11—O19	85.4 (11)
C42—N3—C41	101 (5)	O22—W11—O19	82.6 (10)
C50—N4—C52	123 (4)	O27—W11—O19	81.8 (9)
C50—N4—C51	123 (4)	O50—W12—O14	100.1 (13)
C52—N4—C51	114 (4)	O50—W12—O43	100.7 (12)
C60—N5—C61	129 (4)	O14—W12—O43	159.2 (10)
C60—N5—C62	121 (4)	O50—W12—O29	103.1 (11)
C61—N5—C62	109 (4)	O14—W12—O29	88.1 (11)
C70—N6—C72	120 (4)	O43—W12—O29	87.2 (10)
C70—N6—C71	117 (3)	O50—W12—O17	103.3 (12)
C72—N6—C71	120 (4)	O14—W12—O17	82.9 (13)
C80—N7—C81	125 (4)	O43—W12—O17	92.3 (12)
C80—N7—C82	121 (4)	O29—W12—O17	153.2 (10)
C81—N7—C82	113 (4)	O50—W12—O28	172.3 (12)
C90—N8—C91	121 (4)	O14—W12—O28	85.5 (10)
C90—N8—C92	122 (4)	O43—W12—O28	73.8 (10)
C91—N8—C92	117 (5)	O29—W12—O28	71.7 (10)
C1—N10—C5	125 (4)	O17—W12—O28	82.4 (11)
C1—N10—C6	118 (3)	O61—W13—O8	100.8 (17)
C5—N10—C6	117 (3)	O61—W13—O23	99.2 (16)
C11—N11—C15	115 (6)	O8—W13—O23	159.9 (13)
C11—N11—C16	122 (3)	O61—W13—O59	101.1 (16)
C15—N11—C16	121 (3)	O8—W13—O59	87.7 (13)
C21—N12—C25	120 (6)	O23—W13—O59	87.1 (13)
C21—N12—C26	120 (3)	O61—W13—O37	105.0 (16)
C25—N12—C26	119 (4)	O8—W13—O37	83.6 (12)
C100—N14—C102	122 (4)	O23—W13—O37	92.6 (12)
C100—N14—C101	121 (5)	O59—W13—O37	153.7 (12)
C102—N14—C101	115 (5)	O61—W13—O39	167.9 (15)
C110—N15—C111	124 (6)	O8—W13—O39	87.6 (12)
C110—N15—C112	126 (6)	O23—W13—O39	72.4 (11)
C111—N15—C112	110 (6)	O59—W13—O39	70.3 (11)
P1—O1—W4	125.9 (15)	O37—W13—O39	84.5 (11)
P1—O1—W10	125.5 (14)	O40—W14—O21	103.7 (12)
W4—O1—W10	90.4 (9)	O40—W14—O15	99.6 (13)
W2—O2—W1	121.1 (12)	O21—W14—O15	88.6 (10)
W5—O3—W1	150.0 (13)	O40—W14—O44	95.2 (13)
W2—O4—W10	147.4 (15)	O21—W14—O44	85.6 (11)
P2—O5—W9	128.4 (16)	O15—W14—O44	165.0 (11)
P2—O5—W14	126.1 (15)	O40—W14—O16	98.2 (13)
W9—O5—W14	91.2 (10)	O21—W14—O16	158.1 (11)
W8—O6—W6	124.9 (14)	O15—W14—O16	87.9 (11)
W10—O7—W7	164.9 (15)	O44—W14—O16	92.3 (12)
W13—O8—W7	151.9 (18)	O40—W14—O5	170.6 (12)
W11—O9—W9	146.9 (15)	O21—W14—O5	85.5 (10)
W11—O10—W7	123.8 (13)	O15—W14—O5	82.3 (10)
W10—O11—W4	123.3 (14)	O44—W14—O5	83.4 (11)
P1—O12—W17	128.0 (13)	O16—W14—O5	72.7 (11)
P1—O12—W3	125.2 (13)	O47—W15—O35	98.9 (13)
W17—O12—W3	89.3 (8)	O47—W15—O43	101.9 (13)
W17—O13—W3	123.5 (15)	O35—W15—O43	159.3 (10)
W12—O14—W2	148.3 (17)	O47—W15—O30	102.5 (15)
W14—O15—W3	162.6 (14)	O35—W15—O30	85.7 (12)
W14—O16—W9	123.1 (14)	O43—W15—O30	89.5 (12)
W10—O17—W12	158.1 (16)	O47—W15—O46	103.1 (13)
W8—O18—W18	155.3 (15)	O35—W15—O46	86.7 (10)
P2—O19—W7	128.1 (15)	O43—W15—O46	88.9 (10)
P2—O19—W11	125.7 (14)	O30—W15—O46	154.2 (11)
W7—O19—W11	91.6 (10)	O47—W15—O28	172.4 (13)
W1—O20—W8	162.7 (18)	O35—W15—O28	86.1 (10)
W14—O21—W8	152.2 (14)	O43—W15—O28	73.3 (9)
W4—O22—W11	163.0 (16)	O30—W15—O28	83.6 (12)
W13—O23—W18	124.0 (14)	O46—W15—O28	71.3 (10)
W9—O24—W17	164.9 (15)	O53—W16—O27	100.4 (13)
P1—O25—W2	127.2 (15)	O53—W16—O59	103.8 (14)
P1—O25—W1	125.3 (16)	O27—W16—O59	85.2 (12)
W2—O25—W1	89.1 (9)	O53—W16—O26	102.3 (15)
W9—O26—W16	150.9 (18)	O27—W16—O26	87.3 (12)
W16—O27—W11	150.1 (14)	O59—W16—O26	153.7 (12)
P1—O28—W12	125.8 (16)	O53—W16—O45	102.0 (13)
P1—O28—W5	123.7 (14)	O27—W16—O45	157.6 (11)
W12—O28—W5	92.5 (10)	O59—W16—O45	88.4 (13)
P1—O28—W15	122.3 (14)	O26—W16—O45	89.1 (13)
W12—O28—W15	91.8 (10)	O53—W16—O39	171.4 (13)
W5—O28—W15	91.3 (11)	O27—W16—O39	85.6 (10)
W5—O29—W12	122.5 (12)	O59—W16—O39	70.4 (11)
W4—O30—W15	152.5 (18)	O26—W16—O39	84.0 (11)
W4—O34—W17	151.4 (16)	O45—W16—O39	72.1 (11)
W15—O35—W17	150.4 (16)	O32—W17—O13	99.7 (12)
W5—O36—W3	149.3 (15)	O32—W17—O34	103.6 (13)
W6—O37—W13	153.7 (17)	O13—W17—O34	156.5 (12)
W2—O38—W6	163.3 (15)	O32—W17—O24	100.6 (11)
P2—O39—W18	125.5 (15)	O13—W17—O24	92.9 (11)
P2—O39—W13	122.6 (15)	O34—W17—O24	85.9 (11)
W18—O39—W13	93.2 (10)	O32—W17—O35	95.3 (11)
P2—O39—W16	122.1 (14)	O13—W17—O35	88.5 (11)
W18—O39—W16	93.0 (10)	O34—W17—O35	86.3 (11)
W13—O39—W16	91.6 (10)	O24—W17—O35	163.5 (10)
W15—O43—W12	121.2 (11)	O32—W17—O12	173.8 (11)
W14—O44—W18	151.5 (15)	O13—W17—O12	74.3 (10)
W18—O45—W16	120.3 (12)	O34—W17—O12	82.3 (11)
W5—O46—W15	123.3 (13)	O24—W17—O12	81.7 (9)
W3—O52—W1	147.2 (16)	O35—W17—O12	82.9 (9)
P2—O55—W8	128.1 (14)	O51—W18—O45	98.4 (13)
P2—O55—W6	124.9 (17)	O51—W18—O18	103.8 (14)
W8—O55—W6	90.5 (8)	O45—W18—O18	157.6 (11)
W7—O57—W6	151.0 (17)	O51—W18—O44	100.5 (15)
W7—O58—La1	172.9 (17)	O45—W18—O44	90.7 (12)
W16—O59—W13	127.7 (16)	O18—W18—O44	82.4 (11)
La1—O70—H701	109.5	O51—W18—O23	104.0 (14)
La1—O70—H702	86.5	O45—W18—O23	85.1 (12)
H701—O70—H702	98.3	O18—W18—O23	92.3 (10)
C30—O71—La1	133 (3)	O44—W18—O23	155.4 (11)
C40—O72—La1	130 (3)	O51—W18—O39	171.2 (13)
C50—O73—La1	128 (3)	O45—W18—O39	74.7 (10)
C60—O74—La1	149 (4)	O18—W18—O39	83.5 (10)
C70—O75—La1	131 (3)	O44—W18—O39	85.2 (11)
C80—O76—La1	138 (3)	O23—W18—O39	70.4 (10)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O70—H702···O41^i	0.85	2.41	2.82 (5)	111
C1—H1···O46^ii	0.93	2.49	3.33 (5)	150
C15—H15···O78^ii	0.93	2.39	3.21 (10)	148
C16—H16B···O49^iii	0.96	2.45	3.30 (6)	148
C21—H21···O33	0.93	2.34	3.26 (7)	171
C22—H22···O49	0.93	2.45	3.33 (7)	158
C24—H24···O31^iv	0.93	2.45	3.34 (7)	161
C25—H25···O2^iv	0.93	2.53	3.35 (6)	148
C26—H26C···O60^iv	0.96	2.30	3.25 (11)	171
C31—H31A···O71	0.96	2.31	2.74 (7)	106
C31—H31C···O31^v	0.96	2.49	3.25 (6)	135
C32—H32C···O32^ii	0.96	2.53	3.17 (6)	124
C40—H40···O58	0.93	2.54	3.11 (5)	120
C41—H41A···O72	0.96	2.42	2.80 (6)	103
C41—H41C···O29^v	0.96	2.51	3.44 (7)	163
C42—H42A···O31	0.96	2.57	3.32 (9)	135
C51—H51A···O50^v	0.96	2.23	3.12 (6)	154
C51—H51B···O54^i	0.96	2.58	3.35 (6)	138
C51—H51C···O31^v	0.96	2.55	3.42 (6)	150
C52—H52A···O73	0.96	2.24	2.66 (8)	105
C52—H52C···O54^i	0.96	2.24	3.12 (9)	152
C61—H61B···O61	0.96	2.48	3.14 (9)	126
C62—H62A···O74	0.96	2.33	2.73 (6)	104
C62—H62B···O26^iii	0.96	2.57	3.11 (5)	116
C71—H71A···O75	0.96	2.39	2.80 (7)	105
C71—H71B···O52^i	0.96	2.47	3.08 (5)	121
C82—H82C···O49	0.96	2.59	3.52 (7)	164
C100—H100···O51^ii	0.93	2.59	3.37 (6)	142
C102—H97A···O78	0.96	2.25	2.66 (8)	104
C102—H97C···O29^vi	0.96	2.50	3.30 (6)	141
C111—H11A···O16^vii	0.96	2.49	3.14 (9)	125

Symmetry codes: (i) x, y, z+1; (ii) −x+1, −y+1, z+1/2; (iii) −x+3/2, y+1/2, z+1/2; (iv) x, y−1, z; (v) −x+1, −y+2, z+1/2; (vi) −x+1/2, y−1/2, z+1/2; (vii) x−1/2, −y+3/2, z+1.