catena-Poly[[tetra­kis­(hexa­methyl­phospho­ramide-κO)bis­(nitrato-κ2O,O′)cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]

Wei, H.; Zhang, J.; Zhang, C.

doi:10.1107/S1600536810044260

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 12| December 2010| Pages m1657-m1658

https://doi.org/10.1107/S1600536810044260

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catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ²O,O′)cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]

Hongyang Wei,^a Jinfang Zhang ^b and Chi Zhang ^a ^*

^aInstitute of Molecular Engineering and Advanced Materials, School of Chemical Engineering, Nanjing University of Science and Technology, 200 Xiaolingwei, Nanjing 210094, Jiangsu, People's Republic of China, and ^bInstitute of Science and Technology, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, People's Republic of China
^*Correspondence e-mail: chizhang@mail.njust.edu.cn

(Received 7 October 2010; accepted 29 October 2010; online 27 November 2010)

Hexamethylphosphoramide (hmp), tetrathiotungstate, silver sulfide and cerium nitrate were self-assembled to form a one-dimensional anionic [Ag₄W₄S₁₆]_n⁴ⁿ⁻ chain in the title compound, {[Ce(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]}_n. The asymmetric unit contains four crystallographically independent [Ce(hmp)₄(NO₃)₂]⁺ cations, which leads to a one-dimensional polymeric anionic chain having a tetravalent [W₄S₁₆Ag₄] repeat unit. Each central Ce atom is coordinated by eight O atoms from two chelating nitrate and four hmp ligands, which gives rise to a distorted square-antiprismatic structure. The polymeric chain with average W—Ag—W and Ag—W—Ag bond angles of 163.75 and 151.84°, respectively, presents a distorted linear configuration. The title complex with a non-centrosymmetric structure, is analogous to the Yb, Y, Eu, Nd, La and Dy isomorphs, which exhibit centrosymmetric structures.

Related literature

For one-dimensional Mo(W)/S/Ag anionic polymers, see: Niu et al. (2004 ). For their unique properties, see: Zhang, Song et al. (2007 ). For analogous centrosymmetric complexes, see: Cao et al. (2007 ); Zhang, Cao et al. (2007 ); Zhang, Qian et al. (2007 ); Tang, Zhang & Zhang (2008 ); Tang, Zhang, Zhang & Lu (2008 ); Wei et al. (2010 ).

Experimental

Crystal data

[Ce(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]
M_r = 1400.92
Monoclinic, P 2₁
a = 15.639 (3) Å
b = 30.002 (6) Å
c = 22.532 (4) Å
β = 90.53 (3)°
V = 10572 (3) Å³
Z = 8
Mo Kα radiation
μ = 3.72 mm⁻¹
T = 153 K
0.30 × 0.22 × 0.20 mm

Data collection

Rigaku Saturn724+ diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007 ) T_min = 0.390, T_max = 0.475
49779 measured reflections
34142 independent reflections
32497 reflections with I > 2σ(I)
R_int = 0.024

Refinement

R[F² > 2σ(F²)] = 0.034
wR(F²) = 0.068
S = 1.06
34142 reflections
2221 parameters
1 restraint
H-atom parameters constrained
Δρ_max = 0.74 e Å⁻³
Δρ_min = −0.96 e Å⁻³
Absolute structure: Flack (1983 ), 14534 Friedel pairs
Flack parameter: 0.286 (4)

Data collection: CrystalClear (Rigaku, 2007); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810044260/zq2066sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810044260/zq2066Isup2.hkl

checkCIF report

Comment top

One-dimensional Mo(W)/S/Ag anionic polymers have attracted much attention for their configurational isomerism (Niu et al., 2004) and unique properties as functional materials, such as third-order nonlinear optical (NLO) materials (Zhang, Song & Wang, 2007). Different solvent-coordinated rare-earth cations proved effective to obtain various configurations of anionic chains (Niu et al., 2004). The title compound {4n[Ce(hmp)₄(NO₃)₂][Ag₄W₄S₁₆]_n} (hmp = hexamethylphosphoramide) with a wave-like anionic chain was prepared by following such route using Ce(III)-hmp complex as counterion.

Each Ce^3- in the cation is coordinated by eight O atoms from two nitrate and four hmp ligands (Fig. 1). Parts of dimethylamine groups from hmp ligands have large librations reflecting a small degree of thermal disorder. The cation in the title compound contains four univalent [Ce(hmp)₄(NO₃)₂]⁺, which leads to a 1-D anionic chain having a tetravalent repeat unit. As illustrated in Fig. 2, the anionic chain in the title compound has a distorted linear configuration with average W—Ag—W and Ag—W—Ag angles of 163.75 and 151.84 °, respectively. The title complex is analogous to Yb (Cao et al. 2007), Y (Zhang, Cao et al. 2007), Eu (Zhang, Qian et al. 2007), Nd (Tang, Zhang & Zhang, 2008), La (Tang, Zhang, Zhang & Lu, 2008) and Dy (Wei et al. 2010) isomorphs.

Related literature top

For one-dimensional Mo(W)/S/Ag anionic polymers, see: Niu et al. (2004). For their unique properties, see: Zhang, Song & Wang (2007). For analogous complexes of the title compound, see: Cao et al. (2007); Zhang, Cao et al. (2007); Zhang, Qian et al. (2007); Tang, Zhang & Zhang (2008); Tang, Zhang, Zhang & Lu (2008); Wei et al. (2010).

Experimental top

1 mmol Ag₂S was added to a solution of [NH₄]₂WS₄ (2 mmol in 30 mL hmp) with thorough stir for 6 h. The solution underwent an additional stir for two minute after 1 mmol Ce(NO₃)₃.6H₂O was added. After filtration the orange-red filtrate was carefully laid on the surface with 30 ml i-PrOH. orange block crystals were obtained after ten days.

Structure description top

Computing details top

Data collection: CrystalClear (Rigaku, 2007); cell refinement: CrystalClear (Rigaku, 2007); data reduction: CrystalClear (Rigaku, 2007); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of one [Ce(hmp)₄(NO₃)₂]⁺ cation in the title compound, with atom labels and 30% probability displacement ellipsoids. All H atoms have been omitted.
	Fig. 2. The molecular structure of a portion of the anionic chain in the title compound, with atom labels and 30% probability displacement ellipsoids.

catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ²O,O')cerium(III)] [silver(I)-di-µ-sulfido-tungstate(VI)-di-µ-sulfido]] top

Crystal data top

[Ce(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]	F(000) = 5576
M_r = 1400.92	D_x = 1.760 Mg m⁻³
Monoclinic, P2₁	Mo Kα radiation, λ = 0.71073 Å
a = 15.639 (3) Å	Cell parameters from 45199 reflections
b = 30.002 (6) Å	θ = 2.8–29.0°
c = 22.532 (4) Å	µ = 3.72 mm⁻¹
β = 90.53 (3)°	T = 153 K
V = 10572 (3) Å³	Block, orange
Z = 8	0.3 × 0.22 × 0.20 mm

Data collection top

Rigaku Saturn724+ (2x2 bin mode) diffractometer	34142 independent reflections
Radiation source: fine-focus sealed tube	32497 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.024
ω scans	θ_max = 25.4°, θ_min = 2.8°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007)	h = −12→18
T_min = 0.390, T_max = 0.475	k = −35→36
49779 measured reflections	l = −27→25

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.034	H-atom parameters constrained
wR(F²) = 0.068	w = 1/[σ²(F_o²) + (0.0224P)² + 4.7571P] where P = (F_o² + 2F_c²)/3
S = 1.06	(Δ/σ)_max = 0.003
34142 reflections	Δρ_max = 0.74 e Å⁻³
2221 parameters	Δρ_min = −0.96 e Å⁻³
1 restraint	Absolute structure: Flack (1983), 14534 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.286 (4)

Crystal data top

[Ce(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]	V = 10572 (3) Å³
M_r = 1400.92	Z = 8
Monoclinic, P2₁	Mo Kα radiation
a = 15.639 (3) Å	µ = 3.72 mm⁻¹
b = 30.002 (6) Å	T = 153 K
c = 22.532 (4) Å	0.3 × 0.22 × 0.20 mm
β = 90.53 (3)°

Data collection top

Rigaku Saturn724+ (2x2 bin mode) diffractometer	34142 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007)	32497 reflections with I > 2σ(I)
T_min = 0.390, T_max = 0.475	R_int = 0.024
49779 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.034	H-atom parameters constrained
wR(F²) = 0.068	Δρ_max = 0.74 e Å⁻³
S = 1.06	Δρ_min = −0.96 e Å⁻³
34142 reflections	Absolute structure: Flack (1983), 14534 Friedel pairs
2221 parameters	Absolute structure parameter: 0.286 (4)
1 restraint

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

	x	y	z	U_iso*/U_eq
W1	0.70667 (2)	0.670558 (10)	0.635629 (14)	0.01653 (8)
W2	0.70710 (2)	0.718307 (10)	0.384943 (14)	0.01684 (8)
W3	0.71320 (2)	0.680506 (10)	0.132285 (14)	0.01660 (8)
W4	0.71030 (2)	0.726819 (9)	−0.117449 (14)	0.01602 (8)
Ag1	0.70624 (5)	0.70662 (2)	0.51475 (3)	0.02993 (18)
Ag2	0.71221 (5)	0.68628 (2)	0.26209 (3)	0.03115 (18)
Ag3	0.71502 (5)	0.71867 (2)	0.01258 (3)	0.03065 (18)
Ag4	0.70672 (5)	0.68569 (2)	0.76465 (3)	0.03160 (18)
S1	0.59159 (15)	0.65587 (8)	0.68776 (10)	0.0265 (5)
S2	0.82175 (15)	0.65644 (8)	0.68948 (10)	0.0244 (5)
S3	0.70493 (16)	0.74260 (7)	0.61376 (10)	0.0240 (5)
S4	0.70920 (15)	0.62697 (7)	0.55689 (10)	0.0233 (5)
S5	0.59056 (15)	0.73146 (9)	0.43625 (10)	0.0304 (6)
S6	0.82233 (15)	0.73143 (8)	0.43943 (10)	0.0262 (5)
S7	0.70824 (16)	0.76450 (7)	0.30862 (9)	0.0237 (5)
S8	0.70711 (17)	0.64732 (7)	0.35904 (10)	0.0279 (5)
S9	0.59795 (15)	0.66429 (8)	0.18283 (10)	0.0260 (5)
S10	0.82968 (15)	0.66679 (7)	0.18527 (10)	0.0236 (5)
S11	0.70992 (15)	0.75284 (7)	0.11250 (10)	0.0214 (5)
S12	0.71504 (15)	0.63835 (7)	0.05201 (9)	0.0230 (5)
S13	0.59544 (15)	0.74205 (7)	−0.06550 (10)	0.0236 (5)
S14	0.82577 (15)	0.74540 (8)	−0.06615 (10)	0.0266 (5)
S15	0.70532 (15)	0.76722 (7)	−0.19945 (10)	0.0243 (5)
S16	0.71292 (15)	0.65425 (7)	−0.13326 (10)	0.0230 (5)
Ce1	0.23943 (3)	0.530118 (13)	0.432688 (18)	0.01342 (10)
P1	0.17428 (13)	0.43188 (7)	0.53337 (9)	0.0197 (4)
P2	0.47960 (13)	0.52705 (7)	0.47157 (9)	0.0268 (5)
P3	0.30186 (15)	0.60588 (7)	0.30129 (10)	0.0229 (5)
P4	0.01650 (14)	0.58453 (7)	0.44156 (9)	0.0181 (5)
O1	0.2087 (3)	0.46413 (17)	0.4896 (2)	0.0179 (12)
O2	0.3877 (3)	0.52404 (18)	0.4519 (2)	0.0242 (13)
O3	0.2779 (4)	0.57219 (17)	0.3469 (2)	0.0203 (12)
O4	0.0975 (3)	0.55851 (17)	0.4391 (2)	0.0208 (13)
O5	0.2604 (4)	0.6089 (2)	0.4817 (3)	0.0306 (15)
O6	0.2435 (6)	0.6213 (3)	0.5756 (3)	0.071 (3)
O7	0.2374 (4)	0.55348 (19)	0.5427 (3)	0.0300 (15)
O8	0.1566 (4)	0.48881 (18)	0.3496 (2)	0.0229 (13)
O9	0.2122 (4)	0.44519 (19)	0.2840 (3)	0.0328 (16)
O10	0.2868 (4)	0.46843 (18)	0.3593 (2)	0.0212 (13)
N1	0.0763 (4)	0.4198 (2)	0.5144 (3)	0.0273 (16)
N2	0.1759 (5)	0.4496 (2)	0.6025 (3)	0.0328 (17)
N3	0.2337 (4)	0.3872 (2)	0.5358 (3)	0.0232 (15)
N4	0.5043 (5)	0.5670 (3)	0.5147 (3)	0.051 (2)
N5	0.5035 (5)	0.4798 (3)	0.5038 (3)	0.054 (2)
N6	0.5411 (4)	0.5344 (2)	0.4153 (3)	0.0337 (16)
N7	0.3637 (5)	0.6472 (2)	0.3233 (3)	0.0259 (17)
N8	0.3554 (5)	0.5809 (2)	0.2485 (3)	0.0362 (19)
N9	0.2145 (5)	0.6306 (2)	0.2772 (3)	0.0238 (16)
N10	0.0143 (4)	0.6252 (2)	0.3931 (3)	0.0197 (15)
N11	−0.0633 (4)	0.5508 (2)	0.4284 (3)	0.0203 (15)
N12	0.0054 (5)	0.6066 (2)	0.5074 (3)	0.0285 (18)
N13	0.2168 (5)	0.4668 (2)	0.3295 (3)	0.0203 (16)
N14	0.2473 (6)	0.5946 (3)	0.5344 (4)	0.039 (2)
C1	0.0184 (5)	0.4534 (3)	0.4900 (4)	0.033 (2)
H1A	−0.0202	0.4630	0.5203	0.049*
H1B	−0.0136	0.4408	0.4575	0.049*
H1C	0.0509	0.4784	0.4762	0.049*
C2	0.0327 (6)	0.3797 (3)	0.5369 (5)	0.059 (3)
H2A	−0.0095	0.3700	0.5085	0.089*
H2B	0.0053	0.3866	0.5738	0.089*
H2C	0.0738	0.3564	0.5432	0.089*
C3	0.1047 (8)	0.4672 (5)	0.6322 (4)	0.105 (6)
H3A	0.0980	0.4981	0.6220	0.158*
H3B	0.1133	0.4645	0.6743	0.158*
H3C	0.0542	0.4511	0.6206	0.158*
C4	0.2566 (7)	0.4626 (4)	0.6307 (4)	0.057 (3)
H4A	0.2553	0.4551	0.6721	0.085*
H4B	0.2648	0.4941	0.6263	0.085*
H4C	0.3029	0.4470	0.6121	0.085*
C5	0.2358 (6)	0.3552 (3)	0.5853 (4)	0.043 (2)
H5A	0.2938	0.3462	0.5929	0.065*
H5B	0.2020	0.3296	0.5751	0.065*
H5C	0.2130	0.3690	0.6202	0.065*
C6	0.2675 (5)	0.3682 (3)	0.4811 (4)	0.033 (2)
H6A	0.2370	0.3412	0.4717	0.049*
H6B	0.3271	0.3615	0.4865	0.049*
H6C	0.2605	0.3891	0.4493	0.049*
C7	0.4995 (7)	0.6124 (4)	0.4926 (6)	0.071 (4)
H7A	0.5337	0.6315	0.5175	0.106*
H7B	0.4412	0.6223	0.4930	0.106*
H7C	0.5206	0.6134	0.4528	0.106*
C8	0.4866 (8)	0.5612 (5)	0.5782 (5)	0.118 (6)
H8A	0.4314	0.5733	0.5870	0.177*
H8B	0.5295	0.5764	0.6013	0.177*
H8C	0.4875	0.5300	0.5878	0.177*
C9	0.4446 (6)	0.4508 (3)	0.5306 (4)	0.039 (2)
H9A	0.4422	0.4570	0.5723	0.059*
H9B	0.4624	0.4206	0.5246	0.059*
H9C	0.3891	0.4552	0.5130	0.059*
C10	0.5930 (6)	0.4686 (4)	0.5180 (5)	0.091 (5)
H10A	0.6010	0.4370	0.5147	0.137*
H10B	0.6064	0.4780	0.5577	0.137*
H10C	0.6301	0.4836	0.4907	0.137*
C11	0.6314 (6)	0.5454 (3)	0.4192 (5)	0.058 (3)
H11A	0.6464	0.5645	0.3867	0.087*
H11B	0.6646	0.5185	0.4174	0.087*
H11C	0.6429	0.5604	0.4560	0.087*
C12	0.5168 (6)	0.5193 (3)	0.3558 (3)	0.047 (2)
H12A	0.5483	0.4929	0.3462	0.070*
H12B	0.5294	0.5423	0.3276	0.070*
H12C	0.4566	0.5130	0.3547	0.070*
C13	0.3310 (6)	0.6770 (3)	0.3683 (4)	0.028 (2)
H13A	0.3592	0.7053	0.3654	0.042*
H13B	0.3416	0.6644	0.4069	0.042*
H13C	0.2706	0.6809	0.3625	0.042*
C14	0.4561 (5)	0.6414 (3)	0.3275 (4)	0.045 (2)
H14A	0.4694	0.6202	0.3582	0.068*
H14B	0.4824	0.6695	0.3368	0.068*
H14C	0.4773	0.6307	0.2903	0.068*
C15	0.3602 (6)	0.5341 (2)	0.2407 (3)	0.040 (2)
H15A	0.4189	0.5254	0.2361	0.060*
H15B	0.3281	0.5257	0.2060	0.060*
H15C	0.3369	0.5194	0.2748	0.060*
C16	0.3807 (7)	0.6064 (3)	0.1961 (4)	0.053 (3)
H16A	0.3372	0.6038	0.1659	0.079*
H16B	0.4337	0.5949	0.1813	0.079*
H16C	0.3879	0.6372	0.2067	0.079*
C17	0.2135 (6)	0.6723 (3)	0.2440 (4)	0.030 (2)
H17A	0.1635	0.6891	0.2541	0.045*
H17B	0.2125	0.6659	0.2022	0.045*
H17C	0.2637	0.6892	0.2537	0.045*
C18	0.1435 (6)	0.6006 (3)	0.2603 (4)	0.040 (2)
H18A	0.1503	0.5913	0.2198	0.059*
H18B	0.0902	0.6161	0.2642	0.059*
H18C	0.1440	0.5750	0.2858	0.059*
C19	0.0815 (6)	0.6584 (3)	0.3958 (4)	0.028 (2)
H19A	0.0605	0.6847	0.4151	0.042*
H19B	0.0990	0.6658	0.3563	0.042*
H19C	0.1294	0.6467	0.4178	0.042*
C20	−0.0589 (6)	0.6357 (3)	0.3549 (4)	0.028 (2)
H20A	−0.0394	0.6427	0.3158	0.043*
H20B	−0.0889	0.6609	0.3709	0.043*
H20C	−0.0967	0.6105	0.3531	0.043*
C21	−0.0621 (5)	0.5211 (3)	0.3774 (3)	0.0266 (19)
H21A	−0.0906	0.5351	0.3444	0.040*
H21B	−0.0908	0.4938	0.3871	0.040*
H21C	−0.0039	0.5147	0.3670	0.040*
C22	−0.1502 (6)	0.5590 (3)	0.4516 (4)	0.036 (2)
H22A	−0.1761	0.5312	0.4622	0.054*
H22B	−0.1843	0.5734	0.4216	0.054*
H22C	−0.1464	0.5779	0.4860	0.054*
C23	−0.0389 (7)	0.6479 (3)	0.5182 (4)	0.037 (2)
H23A	−0.0016	0.6681	0.5390	0.055*
H23B	−0.0886	0.6423	0.5417	0.055*
H23C	−0.0561	0.6609	0.4810	0.055*
C24	0.0269 (6)	0.5802 (3)	0.5609 (4)	0.032 (2)
H24A	−0.0248	0.5707	0.5796	0.048*
H24B	0.0595	0.5983	0.5880	0.048*
H24C	0.0599	0.5547	0.5497	0.048*
Ce2	0.24257 (3)	0.535742 (13)	0.950288 (18)	0.01308 (10)
P5	0.20715 (14)	0.42160 (7)	1.02711 (9)	0.0202 (4)
P6	0.47539 (12)	0.54651 (6)	0.99636 (8)	0.0175 (4)
P7	0.29820 (14)	0.60994 (7)	0.81644 (9)	0.0194 (5)
P8	0.01721 (14)	0.58537 (7)	0.96084 (10)	0.0189 (5)
O11	0.2231 (3)	0.46756 (17)	1.0052 (2)	0.0174 (12)
O12	0.3910 (3)	0.53180 (18)	0.9713 (2)	0.0202 (12)
O13	0.2741 (4)	0.58384 (17)	0.8699 (2)	0.0206 (13)
O14	0.0981 (3)	0.55967 (17)	0.9588 (2)	0.0171 (12)
O15	0.1644 (4)	0.49599 (19)	0.8630 (2)	0.0217 (13)
O16	0.2289 (5)	0.4617 (2)	0.7912 (3)	0.0419 (18)
O17	0.2996 (4)	0.48047 (19)	0.8704 (3)	0.0263 (14)
O18	0.2526 (4)	0.61465 (19)	0.9986 (2)	0.0222 (13)
O19	0.2197 (5)	0.6304 (2)	1.0894 (3)	0.0455 (19)
O20	0.2350 (4)	0.56068 (19)	1.0601 (2)	0.0253 (14)
N15	0.1153 (4)	0.4051 (2)	0.9990 (3)	0.0306 (16)
N16	0.2127 (4)	0.4222 (2)	1.1000 (3)	0.0289 (16)
N17	0.2739 (4)	0.3827 (2)	1.0084 (3)	0.0280 (16)
N18	0.4782 (4)	0.53218 (19)	1.0668 (3)	0.0236 (14)
N19	0.5490 (4)	0.5231 (2)	0.9568 (3)	0.0342 (17)
N20	0.4982 (5)	0.5995 (2)	0.9978 (3)	0.0222 (15)
N21	0.3564 (5)	0.5802 (2)	0.7727 (3)	0.0318 (18)
N22	0.3521 (5)	0.6546 (2)	0.8353 (3)	0.0258 (17)
N23	0.2106 (5)	0.6241 (2)	0.7809 (3)	0.0306 (18)
N24	0.0151 (4)	0.6245 (2)	0.9105 (3)	0.0226 (16)
N25	−0.0618 (4)	0.5506 (2)	0.9497 (3)	0.0275 (17)
N26	0.0065 (5)	0.6085 (2)	1.0263 (3)	0.0234 (16)
N27	0.2304 (5)	0.4792 (2)	0.8397 (3)	0.0286 (18)
N28	0.2359 (5)	0.6021 (3)	1.0508 (3)	0.0317 (19)
C25	0.0494 (5)	0.4383 (3)	0.9877 (4)	0.036 (2)
H25A	0.0289	0.4497	1.0248	0.054*
H25B	0.0029	0.4249	0.9660	0.054*
H25C	0.0729	0.4623	0.9648	0.054*
C26	0.0806 (6)	0.3608 (3)	1.0119 (5)	0.059 (3)
H26A	0.0462	0.3509	0.9790	0.089*
H26B	0.0461	0.3623	1.0469	0.089*
H26C	0.1268	0.3402	1.0183	0.089*
C27	0.1935 (6)	0.3819 (3)	1.1343 (4)	0.043 (2)
H27A	0.1333	0.3807	1.1421	0.065*
H27B	0.2247	0.3826	1.1711	0.065*
H27C	0.2100	0.3561	1.1120	0.065*
C28	0.1960 (7)	0.4630 (3)	1.1334 (4)	0.041 (2)
H28A	0.2343	0.4646	1.1668	0.062*
H28B	0.1380	0.4628	1.1470	0.062*
H28C	0.2047	0.4883	1.1082	0.062*
C29	0.3532 (6)	0.3732 (3)	1.0395 (4)	0.044 (2)
H29A	0.3994	0.3881	1.0200	0.066*
H29B	0.3633	0.3416	1.0393	0.066*
H29C	0.3494	0.3835	1.0797	0.066*
C30	0.2786 (7)	0.3677 (4)	0.9459 (4)	0.068 (3)
H30A	0.2992	0.3376	0.9446	0.102*
H30B	0.3169	0.3868	0.9245	0.102*
H30C	0.2227	0.3691	0.9280	0.102*
C31	0.4357 (5)	0.4912 (3)	1.0834 (3)	0.033 (2)
H31A	0.4236	0.4918	1.1251	0.050*
H31B	0.4721	0.4663	1.0748	0.050*
H31C	0.3832	0.4884	1.0613	0.050*
C32	0.5563 (5)	0.5394 (3)	1.1024 (3)	0.038 (2)
H32A	0.5993	0.5184	1.0906	0.057*
H32B	0.5437	0.5352	1.1437	0.057*
H32C	0.5767	0.5691	1.0963	0.057*
C33	0.5327 (5)	0.4895 (3)	0.9126 (4)	0.042 (2)
H33A	0.5593	0.4620	0.9245	0.062*
H33B	0.5557	0.4989	0.8753	0.062*
H33C	0.4721	0.4851	0.9084	0.062*
C34	0.6399 (5)	0.5338 (3)	0.9642 (4)	0.050 (3)
H34A	0.6644	0.5397	0.9260	0.075*
H34B	0.6689	0.5090	0.9823	0.075*
H34C	0.6460	0.5596	0.9890	0.075*
C35	0.4626 (5)	0.6289 (2)	1.0424 (4)	0.032 (2)
H35A	0.4107	0.6420	1.0274	0.049*
H35B	0.5030	0.6520	1.0516	0.049*
H35C	0.4506	0.6121	1.0776	0.049*
C36	0.5230 (6)	0.6220 (3)	0.9422 (4)	0.043 (3)
H36A	0.5594	0.6469	0.9514	0.065*
H36B	0.4726	0.6324	0.9218	0.065*
H36C	0.5530	0.6014	0.9174	0.065*
C37	0.4301 (6)	0.5572 (3)	0.7973 (4)	0.053 (3)
H37A	0.4815	0.5718	0.7847	0.079*
H37B	0.4303	0.5269	0.7838	0.079*
H37C	0.4275	0.5577	0.8399	0.079*
C38	0.3534 (8)	0.5825 (4)	0.7079 (4)	0.064 (3)
H38A	0.3500	0.5529	0.6918	0.095*
H38B	0.4042	0.5968	0.6937	0.095*
H38C	0.3041	0.5993	0.6955	0.095*
C39	0.4142 (6)	0.6760 (3)	0.7968 (4)	0.044 (3)
H39A	0.4643	0.6836	0.8195	0.066*
H39B	0.3897	0.7025	0.7800	0.066*
H39C	0.4295	0.6559	0.7655	0.066*
C40	0.3224 (6)	0.6819 (3)	0.8827 (4)	0.037 (2)
H40A	0.2920	0.7070	0.8667	0.055*
H40B	0.3703	0.6921	0.9058	0.055*
H40C	0.2850	0.6648	0.9074	0.055*
C41	0.1994 (6)	0.6669 (3)	0.7506 (4)	0.038 (2)
H41A	0.1473	0.6806	0.7635	0.057*
H41B	0.1967	0.6621	0.7085	0.057*
H41C	0.2468	0.6860	0.7599	0.057*
C42	0.1428 (7)	0.5918 (3)	0.7673 (5)	0.050 (3)
H42A	0.1355	0.5896	0.7250	0.075*
H42B	0.0903	0.6015	0.7848	0.075*
H42C	0.1584	0.5631	0.7830	0.075*
C43	0.0837 (6)	0.6568 (3)	0.9081 (4)	0.030 (2)
H43A	0.0622	0.6857	0.9186	0.044*
H43B	0.1063	0.6578	0.8687	0.044*
H43C	0.1282	0.6484	0.9355	0.044*
C44	−0.0613 (7)	0.6356 (3)	0.8744 (5)	0.045 (3)
H44A	−0.0445	0.6414	0.8343	0.067*
H44B	−0.0882	0.6617	0.8904	0.067*
H44C	−0.1007	0.6111	0.8751	0.067*
C45	−0.0586 (6)	0.5189 (3)	0.9002 (4)	0.033 (2)
H45A	−0.0893	0.5309	0.8668	0.050*
H45B	−0.0841	0.4912	0.9120	0.050*
H45C	−0.0001	0.5139	0.8895	0.050*
C46	−0.1475 (6)	0.5588 (4)	0.9741 (5)	0.046 (3)
H46A	−0.1706	0.5314	0.9890	0.069*
H46B	−0.1843	0.5703	0.9435	0.069*
H46C	−0.1433	0.5801	1.0059	0.069*
C47	−0.0318 (7)	0.6524 (4)	1.0354 (5)	0.052 (3)
H47A	0.0052	0.6701	1.0602	0.077*
H47B	−0.0863	0.6491	1.0542	0.077*
H47C	−0.0394	0.6669	0.9977	0.077*
C48	0.0185 (7)	0.5820 (4)	1.0791 (4)	0.041 (3)
H48A	−0.0361	0.5721	1.0931	0.061*
H48B	0.0461	0.5996	1.1092	0.061*
H48C	0.0534	0.5566	1.0700	0.061*
Ce3	0.23763 (3)	0.863346 (13)	0.686301 (18)	0.01293 (10)
P9	0.01473 (14)	0.80796 (7)	0.69531 (10)	0.0180 (5)
P10	0.29502 (15)	0.78355 (7)	0.55792 (9)	0.0196 (5)
P11	0.47679 (12)	0.86406 (7)	0.72080 (8)	0.0199 (4)
P12	0.17030 (13)	0.96496 (6)	0.78115 (9)	0.0179 (4)
O21	0.0972 (4)	0.83402 (17)	0.6931 (2)	0.0201 (12)
O22	0.2730 (4)	0.81275 (17)	0.6093 (2)	0.0233 (13)
O23	0.3859 (3)	0.87277 (18)	0.7014 (2)	0.0210 (12)
O24	0.2046 (3)	0.93110 (17)	0.7384 (2)	0.0194 (13)
O25	0.1551 (4)	0.90120 (18)	0.5999 (2)	0.0234 (13)
O26	0.2086 (4)	0.9464 (2)	0.5346 (3)	0.0366 (17)
O27	0.2877 (4)	0.9215 (2)	0.6084 (3)	0.0260 (14)
O28	0.2624 (4)	0.78910 (18)	0.7428 (3)	0.0235 (14)
O29	0.2364 (5)	0.7803 (2)	0.8374 (3)	0.052 (2)
O30	0.2351 (4)	0.8463 (2)	0.7985 (3)	0.0290 (15)
N29	0.0034 (5)	0.7856 (2)	0.7597 (3)	0.0217 (16)
N30	0.0141 (4)	0.7679 (2)	0.6462 (3)	0.0227 (16)
N31	−0.0664 (4)	0.8413 (2)	0.6819 (3)	0.0210 (15)
N32	0.3498 (5)	0.7412 (2)	0.5819 (3)	0.0259 (17)
N33	0.2078 (5)	0.7666 (2)	0.5247 (3)	0.0267 (17)
N34	0.3529 (5)	0.8096 (2)	0.5093 (3)	0.0316 (18)
N35	0.4986 (4)	0.8159 (2)	0.7492 (3)	0.0243 (15)
N36	0.5008 (4)	0.9005 (2)	0.7721 (3)	0.0343 (17)
N37	0.5401 (4)	0.8667 (2)	0.6626 (3)	0.0224 (14)
N38	0.1737 (4)	0.9510 (2)	0.8517 (3)	0.0273 (16)
N39	0.2289 (4)	1.01016 (19)	0.7791 (3)	0.0248 (15)
N40	0.0708 (4)	0.9750 (2)	0.7634 (3)	0.0214 (15)
N41	0.2181 (4)	0.9240 (2)	0.5799 (3)	0.0197 (15)
N42	0.2433 (5)	0.8031 (2)	0.7939 (3)	0.0237 (17)
C49	0.0221 (7)	0.8101 (3)	0.8150 (4)	0.038 (2)
H49A	0.0658	0.7947	0.8370	0.057*
H49B	−0.0288	0.8119	0.8383	0.057*
H49C	0.0415	0.8396	0.8055	0.057*
C50	−0.0419 (6)	0.7440 (3)	0.7722 (4)	0.032 (2)
H50A	−0.0943	0.7506	0.7922	0.048*
H50B	−0.0067	0.7254	0.7970	0.048*
H50C	−0.0543	0.7288	0.7357	0.048*
C51	0.0822 (6)	0.7340 (3)	0.6479 (4)	0.026 (2)
H51A	0.1076	0.7316	0.6095	0.039*
H51B	0.0581	0.7057	0.6589	0.039*
H51C	0.1250	0.7425	0.6766	0.039*
C52	−0.0576 (6)	0.7556 (3)	0.6091 (4)	0.030 (2)
H52A	−0.0774	0.7265	0.6202	0.045*
H52B	−0.0402	0.7552	0.5683	0.045*
H52C	−0.1028	0.7769	0.6139	0.045*
C53	−0.1515 (5)	0.8334 (3)	0.7045 (4)	0.028 (2)
H53A	−0.1845	0.8171	0.6756	0.043*
H53B	−0.1788	0.8615	0.7123	0.043*
H53C	−0.1477	0.8165	0.7406	0.043*
C54	−0.0633 (5)	0.8695 (3)	0.6286 (3)	0.030 (2)
H54A	−0.0912	0.8974	0.6365	0.044*
H54B	−0.0919	0.8547	0.5963	0.044*
H54C	−0.0048	0.8749	0.6183	0.044*
C55	0.4142 (6)	0.7175 (3)	0.5472 (4)	0.057 (3)
H55A	0.3894	0.6911	0.5304	0.085*
H55B	0.4614	0.7095	0.5726	0.085*
H55C	0.4341	0.7365	0.5160	0.085*
C56	0.3221 (6)	0.7151 (3)	0.6343 (3)	0.027 (2)
H56A	0.3710	0.7013	0.6528	0.040*
H56B	0.2823	0.6925	0.6219	0.040*
H56C	0.2951	0.7346	0.6622	0.040*
C57	0.2000 (7)	0.7238 (3)	0.4941 (4)	0.039 (2)
H57A	0.2013	0.7285	0.4520	0.058*
H57B	0.1470	0.7099	0.5045	0.058*
H57C	0.2468	0.7048	0.5056	0.058*
C58	0.1435 (6)	0.7986 (3)	0.5087 (4)	0.041 (3)
H58A	0.0883	0.7876	0.5200	0.061*
H58B	0.1443	0.8034	0.4666	0.061*
H58C	0.1547	0.8262	0.5289	0.061*
C59	0.3469 (7)	0.8029 (4)	0.4453 (4)	0.065 (4)
H59A	0.3966	0.7872	0.4319	0.097*
H59B	0.3434	0.8313	0.4258	0.097*
H59C	0.2967	0.7858	0.4360	0.097*
C60	0.4314 (7)	0.8317 (4)	0.5298 (4)	0.071 (4)
H60A	0.4360	0.8604	0.5112	0.106*
H60B	0.4799	0.8138	0.5196	0.106*
H60C	0.4296	0.8354	0.5721	0.106*
C61	0.4952 (6)	0.7753 (3)	0.7119 (4)	0.036 (2)
H61A	0.4382	0.7635	0.7118	0.054*
H61B	0.5341	0.7534	0.7276	0.054*
H61C	0.5111	0.7826	0.6720	0.054*
C62	0.4790 (6)	0.8062 (3)	0.8113 (3)	0.046 (2)
H62A	0.5185	0.7844	0.8263	0.069*
H62B	0.4218	0.7948	0.8139	0.069*
H62C	0.4838	0.8331	0.8342	0.069*
C63	0.5904 (6)	0.9043 (3)	0.7933 (5)	0.066 (3)
H63A	0.5913	0.9076	0.8357	0.099*
H63B	0.6167	0.9299	0.7755	0.099*
H63C	0.6214	0.8779	0.7826	0.099*
C64	0.4474 (6)	0.9357 (3)	0.7886 (5)	0.066 (3)
H64A	0.4689	0.9631	0.7725	0.098*
H64B	0.4459	0.9378	0.8311	0.098*
H64C	0.3907	0.9305	0.7735	0.098*
C65	0.6288 (5)	0.8505 (3)	0.6650 (4)	0.0317 (19)
H65A	0.6672	0.8755	0.6647	0.048*
H65B	0.6395	0.8320	0.6311	0.048*
H65C	0.6377	0.8336	0.7006	0.048*
C66	0.5280 (5)	0.9029 (2)	0.6201 (3)	0.0290 (18)
H66A	0.5428	0.8928	0.5811	0.043*
H66B	0.5639	0.9276	0.6311	0.043*
H66C	0.4693	0.9122	0.6202	0.043*
C67	0.1048 (6)	0.9256 (3)	0.8791 (4)	0.049 (3)
H67A	0.1037	0.9318	0.9209	0.074*
H67B	0.1143	0.8943	0.8730	0.074*
H67C	0.0511	0.9340	0.8614	0.074*
C68	0.2561 (6)	0.9414 (3)	0.8794 (4)	0.044 (2)
H68A	0.2700	0.9106	0.8736	0.066*
H68B	0.2534	0.9476	0.9211	0.066*
H68C	0.2993	0.9597	0.8617	0.066*
C69	0.2304 (6)	1.0442 (3)	0.8258 (4)	0.041 (2)
H69A	0.1946	1.0687	0.8142	0.061*
H69B	0.2879	1.0545	0.8318	0.061*
H69C	0.2095	1.0315	0.8620	0.061*
C70	0.2677 (6)	1.0235 (3)	0.7241 (4)	0.042 (2)
H70A	0.3254	1.0330	0.7316	0.063*
H70B	0.2357	1.0476	0.7069	0.063*
H70C	0.2678	0.9987	0.6971	0.063*
C71	0.0247 (6)	1.0142 (3)	0.7858 (4)	0.043 (2)
H71A	0.0027	1.0078	0.8245	0.065*
H71B	−0.0218	1.0212	0.7593	0.065*
H71C	0.0631	1.0391	0.7882	0.065*
C72	0.0136 (5)	0.9415 (3)	0.7384 (4)	0.034 (2)
H72A	−0.0250	0.9553	0.7106	0.052*
H72B	−0.0184	0.9278	0.7697	0.052*
H72C	0.0465	0.9191	0.7183	0.052*
Ce4	0.23742 (3)	0.868253 (13)	0.200816 (19)	0.01393 (10)
P13	0.20401 (14)	0.98002 (7)	0.28357 (9)	0.0198 (4)
P14	0.46704 (12)	0.85359 (6)	0.25212 (8)	0.0172 (4)
P15	0.30069 (14)	0.80210 (7)	0.06128 (9)	0.0204 (5)
P16	0.01329 (14)	0.81818 (7)	0.20925 (9)	0.0180 (5)
O31	0.2193 (4)	0.93515 (18)	0.2576 (2)	0.0232 (13)
O32	0.3845 (3)	0.86956 (18)	0.2254 (2)	0.0227 (13)
O33	0.2713 (4)	0.82408 (18)	0.1174 (2)	0.0238 (14)
O34	0.0944 (4)	0.84516 (17)	0.2086 (2)	0.0244 (13)
O35	0.1552 (4)	0.9083 (2)	0.1148 (3)	0.0276 (14)
O36	0.2185 (5)	0.9425 (2)	0.0417 (3)	0.0413 (18)
O37	0.2903 (4)	0.9268 (2)	0.1230 (3)	0.0278 (15)
O38	0.2289 (4)	0.83921 (18)	0.3096 (3)	0.0258 (14)
O39	0.2178 (4)	0.76932 (19)	0.3336 (3)	0.0328 (16)
O40	0.2506 (4)	0.78833 (18)	0.2426 (3)	0.0251 (14)
N43	0.1124 (4)	0.9982 (2)	0.2576 (3)	0.0242 (15)
N44	0.2709 (4)	1.0200 (2)	0.2678 (3)	0.0257 (16)
N45	0.2122 (4)	0.9760 (2)	0.3557 (3)	0.0266 (15)
N46	0.4608 (4)	0.8605 (2)	0.3254 (2)	0.0235 (14)
N47	0.5449 (4)	0.8810 (2)	0.2212 (3)	0.0273 (15)
N48	0.4928 (4)	0.8018 (2)	0.2459 (3)	0.0220 (15)
N49	0.3577 (4)	0.8364 (2)	0.0225 (3)	0.0328 (17)
N50	0.3590 (5)	0.7588 (2)	0.0769 (3)	0.0227 (16)
N51	0.2195 (5)	0.7862 (2)	0.0203 (3)	0.0338 (19)
N52	0.0059 (5)	0.7919 (2)	0.2716 (3)	0.0261 (17)
N53	0.0128 (4)	0.7823 (2)	0.1551 (3)	0.0212 (16)
N54	−0.0679 (4)	0.8521 (2)	0.2019 (3)	0.0242 (16)
N55	0.2231 (5)	0.9268 (2)	0.0919 (3)	0.0220 (16)
N56	0.2327 (4)	0.7973 (2)	0.2963 (3)	0.0195 (16)
C73	0.0469 (5)	0.9664 (3)	0.2382 (4)	0.029 (2)
H73A	0.0037	0.9817	0.2156	0.043*
H73B	0.0214	0.9527	0.2722	0.043*
H73C	0.0726	0.9438	0.2140	0.043*
C74	0.0762 (6)	1.0408 (3)	0.2769 (4)	0.041 (2)
H74A	0.0372	1.0357	0.3088	0.062*
H74B	0.0462	1.0544	0.2442	0.062*
H74C	0.1213	1.0601	0.2901	0.062*
C75	0.2670 (7)	1.0431 (4)	0.2111 (4)	0.059 (3)
H75A	0.3034	1.0283	0.1833	0.089*
H75B	0.2859	1.0733	0.2163	0.089*
H75C	0.2093	1.0429	0.1964	0.089*
C76	0.3560 (6)	1.0217 (3)	0.2958 (4)	0.047 (2)
H76A	0.3735	1.0522	0.3001	0.070*
H76B	0.3963	1.0061	0.2716	0.070*
H76C	0.3538	1.0080	0.3343	0.070*
C77	0.2023 (6)	1.0147 (3)	0.3949 (3)	0.041 (2)
H77A	0.2377	1.0110	0.4295	0.062*
H77B	0.1436	1.0173	0.4065	0.062*
H77C	0.2191	1.0412	0.3742	0.062*
C78	0.1899 (6)	0.9336 (3)	0.3846 (4)	0.034 (2)
H78A	0.1314	0.9345	0.3969	0.051*
H78B	0.2263	0.9291	0.4186	0.051*
H78C	0.1977	0.9095	0.3571	0.051*
C79	0.4155 (5)	0.9006 (2)	0.3460 (3)	0.032 (2)
H79A	0.4510	0.9263	0.3403	0.049*
H79B	0.4026	0.8975	0.3874	0.049*
H79C	0.3633	0.9041	0.3237	0.049*
C80	0.5369 (5)	0.8506 (2)	0.3618 (3)	0.0275 (18)
H80A	0.5202	0.8458	0.4022	0.041*
H80B	0.5761	0.8752	0.3600	0.041*
H80C	0.5642	0.8242	0.3469	0.041*
C81	0.5308 (6)	0.9233 (3)	0.1934 (6)	0.091 (5)
H81A	0.5648	0.9254	0.1583	0.136*
H81B	0.5467	0.9467	0.2204	0.136*
H81C	0.4715	0.9262	0.1829	0.136*
C82	0.6350 (5)	0.8702 (3)	0.2298 (4)	0.039 (2)
H82A	0.6617	0.8929	0.2538	0.058*
H82B	0.6627	0.8688	0.1920	0.058*
H82C	0.6401	0.8420	0.2495	0.058*
C83	0.5227 (6)	0.7853 (3)	0.1878 (4)	0.038 (2)
H83A	0.4757	0.7721	0.1664	0.057*
H83B	0.5665	0.7633	0.1939	0.057*
H83C	0.5454	0.8097	0.1653	0.057*
C84	0.4576 (5)	0.7669 (3)	0.2838 (4)	0.0322 (19)
H84A	0.5020	0.7462	0.2944	0.048*
H84B	0.4128	0.7516	0.2629	0.048*
H84C	0.4351	0.7802	0.3192	0.048*
C85	0.4271 (6)	0.8621 (3)	0.0514 (4)	0.050 (3)
H85A	0.4231	0.8928	0.0397	0.074*
H85B	0.4814	0.8502	0.0395	0.074*
H85C	0.4219	0.8599	0.0937	0.074*
C86	0.3654 (7)	0.8349 (4)	−0.0419 (4)	0.064 (3)
H86A	0.4149	0.8178	−0.0523	0.096*
H86B	0.3709	0.8646	−0.0571	0.096*
H86C	0.3153	0.8212	−0.0588	0.096*
C87	0.4330 (5)	0.7455 (3)	0.0402 (4)	0.038 (2)
H87A	0.4135	0.7269	0.0081	0.057*
H87B	0.4734	0.7293	0.0642	0.057*
H87C	0.4598	0.7716	0.0244	0.057*
C88	0.3298 (6)	0.7254 (3)	0.1196 (4)	0.034 (2)
H88A	0.3780	0.7137	0.1412	0.051*
H88B	0.3015	0.7015	0.0988	0.051*
H88C	0.2906	0.7389	0.1468	0.051*
C89	0.1507 (7)	0.8183 (4)	0.0084 (5)	0.056 (3)
H89A	0.0963	0.8041	0.0136	0.084*
H89B	0.1550	0.8290	−0.0316	0.084*
H89C	0.1557	0.8429	0.0355	0.084*
C90	0.2130 (7)	0.7446 (3)	−0.0109 (4)	0.043 (3)
H90A	0.2112	0.7502	−0.0529	0.064*
H90B	0.1616	0.7295	0.0006	0.064*
H90C	0.2616	0.7264	−0.0015	0.064*
C91	−0.0344 (7)	0.7471 (3)	0.2791 (4)	0.038 (3)
H91A	−0.0888	0.7504	0.2981	0.058*
H91B	0.0021	0.7286	0.3031	0.058*
H91C	−0.0425	0.7335	0.2408	0.058*
C92	0.0140 (7)	0.8152 (4)	0.3277 (4)	0.045 (3)
H92A	0.0532	0.7994	0.3531	0.068*
H92B	−0.0409	0.8168	0.3463	0.068*
H92C	0.0352	0.8448	0.3209	0.068*
C93	0.0824 (6)	0.7501 (3)	0.1500 (4)	0.040 (3)
H93A	0.1067	0.7521	0.1111	0.060*
H93B	0.0606	0.7206	0.1562	0.060*
H93C	0.1255	0.7565	0.1793	0.060*
C94	−0.0619 (6)	0.7700 (3)	0.1196 (4)	0.033 (2)
H94A	−0.0814	0.7410	0.1314	0.049*
H94B	−0.0468	0.7694	0.0784	0.049*
H94C	−0.1066	0.7914	0.1256	0.049*
C95	−0.1524 (5)	0.8425 (3)	0.2243 (4)	0.040 (3)
H95A	−0.1882	0.8320	0.1924	0.060*
H95B	−0.1765	0.8692	0.2407	0.060*
H95C	−0.1485	0.8200	0.2545	0.060*
C96	−0.0648 (5)	0.8879 (3)	0.1576 (4)	0.038 (2)
H96A	−0.0902	0.9144	0.1737	0.056*
H96B	−0.0958	0.8790	0.1226	0.056*
H96C	−0.0064	0.8939	0.1476	0.056*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
W1	0.01705 (18)	0.01836 (19)	0.01421 (16)	−0.00015 (12)	0.00113 (13)	−0.00098 (13)
W2	0.01651 (18)	0.02086 (19)	0.01315 (16)	0.00243 (13)	0.00137 (13)	0.00264 (13)
W3	0.01681 (18)	0.01789 (19)	0.01512 (17)	−0.00130 (12)	0.00127 (13)	−0.00188 (13)
W4	0.01607 (18)	0.01805 (19)	0.01398 (16)	−0.00043 (12)	0.00208 (13)	0.00047 (13)
Ag1	0.0426 (5)	0.0317 (4)	0.0156 (3)	0.0019 (3)	0.0014 (3)	0.0021 (3)
Ag2	0.0432 (5)	0.0348 (4)	0.0155 (3)	0.0027 (3)	0.0013 (3)	−0.0010 (3)
Ag3	0.0446 (5)	0.0320 (4)	0.0154 (3)	−0.0002 (3)	0.0013 (3)	0.0000 (3)
Ag4	0.0462 (5)	0.0337 (4)	0.0150 (3)	−0.0002 (3)	0.0013 (3)	−0.0017 (3)
S1	0.0197 (12)	0.0375 (12)	0.0225 (11)	−0.0053 (9)	0.0052 (9)	−0.0048 (10)
S2	0.0213 (12)	0.0328 (11)	0.0191 (10)	0.0025 (9)	−0.0006 (8)	0.0004 (9)
S3	0.0328 (13)	0.0169 (10)	0.0224 (11)	0.0026 (9)	0.0010 (9)	−0.0014 (9)
S4	0.0275 (13)	0.0220 (11)	0.0204 (11)	0.0015 (9)	−0.0002 (9)	−0.0053 (9)
S5	0.0196 (12)	0.0491 (14)	0.0226 (11)	0.0073 (10)	0.0047 (9)	0.0046 (11)
S6	0.0196 (12)	0.0343 (12)	0.0247 (11)	0.0004 (9)	−0.0025 (9)	0.0025 (10)
S7	0.0307 (13)	0.0216 (10)	0.0188 (10)	0.0024 (9)	−0.0001 (9)	0.0048 (9)
S8	0.0366 (14)	0.0225 (11)	0.0246 (12)	0.0028 (9)	−0.0016 (10)	0.0053 (10)
S9	0.0209 (12)	0.0370 (12)	0.0202 (11)	−0.0084 (9)	0.0055 (9)	−0.0019 (10)
S10	0.0217 (11)	0.0280 (11)	0.0211 (10)	−0.0009 (9)	−0.0004 (8)	0.0008 (9)
S11	0.0254 (12)	0.0159 (10)	0.0230 (11)	0.0006 (8)	0.0013 (9)	−0.0010 (9)
S12	0.0275 (12)	0.0218 (10)	0.0196 (10)	−0.0014 (9)	0.0015 (9)	−0.0074 (9)
S13	0.0214 (12)	0.0288 (11)	0.0207 (11)	0.0057 (9)	0.0061 (9)	0.0018 (9)
S14	0.0221 (12)	0.0349 (12)	0.0227 (11)	−0.0067 (9)	−0.0009 (9)	−0.0012 (10)
S15	0.0262 (12)	0.0240 (11)	0.0229 (11)	−0.0002 (9)	0.0039 (9)	0.0058 (9)
S16	0.0277 (12)	0.0238 (11)	0.0176 (10)	0.0011 (9)	0.0028 (8)	0.0004 (9)
Ce1	0.0114 (2)	0.0133 (2)	0.0156 (2)	−0.00090 (16)	−0.00033 (16)	0.00136 (19)
P1	0.0173 (11)	0.0195 (10)	0.0222 (10)	−0.0007 (8)	0.0019 (8)	0.0046 (9)
P2	0.0174 (11)	0.0353 (12)	0.0277 (11)	−0.0073 (9)	−0.0052 (8)	0.0077 (10)
P3	0.0264 (12)	0.0208 (10)	0.0215 (11)	0.0007 (9)	0.0057 (9)	0.0032 (9)
P4	0.0156 (11)	0.0182 (10)	0.0205 (11)	0.0002 (8)	0.0005 (8)	−0.0034 (9)
O1	0.020 (3)	0.015 (3)	0.019 (3)	−0.002 (2)	0.003 (2)	0.006 (2)
O2	0.013 (3)	0.025 (3)	0.034 (3)	−0.002 (2)	−0.004 (2)	0.003 (3)
O3	0.024 (3)	0.019 (3)	0.018 (3)	−0.004 (2)	0.005 (2)	0.005 (2)
O4	0.008 (3)	0.022 (3)	0.032 (3)	−0.002 (2)	−0.004 (2)	0.005 (2)
O5	0.036 (4)	0.026 (3)	0.030 (3)	−0.006 (3)	0.000 (3)	0.002 (3)
O6	0.127 (8)	0.041 (4)	0.046 (4)	−0.028 (5)	0.015 (5)	−0.023 (4)
O7	0.042 (4)	0.019 (3)	0.029 (3)	−0.006 (3)	−0.007 (3)	0.008 (3)
O8	0.016 (3)	0.024 (3)	0.029 (3)	−0.003 (2)	0.001 (2)	−0.001 (2)
O9	0.039 (4)	0.026 (3)	0.033 (4)	−0.007 (3)	0.002 (3)	−0.006 (3)
O10	0.019 (3)	0.018 (3)	0.027 (3)	0.003 (2)	−0.003 (2)	−0.003 (2)
N1	0.014 (4)	0.030 (4)	0.038 (4)	−0.007 (3)	0.000 (3)	0.014 (3)
N2	0.047 (5)	0.029 (4)	0.023 (4)	−0.008 (3)	0.010 (3)	−0.008 (3)
N3	0.023 (4)	0.023 (3)	0.024 (3)	0.006 (3)	−0.002 (3)	0.000 (3)
N4	0.036 (5)	0.070 (6)	0.049 (5)	−0.008 (4)	0.001 (4)	−0.018 (5)
N5	0.018 (4)	0.079 (6)	0.064 (5)	0.008 (4)	0.000 (4)	0.045 (5)
N6	0.012 (4)	0.039 (4)	0.050 (4)	−0.005 (3)	0.005 (3)	0.002 (4)
N7	0.024 (4)	0.023 (3)	0.030 (4)	−0.003 (3)	0.001 (3)	−0.004 (3)
N8	0.050 (5)	0.036 (4)	0.023 (4)	0.014 (3)	0.023 (3)	0.010 (3)
N9	0.023 (4)	0.026 (4)	0.023 (4)	0.000 (3)	0.005 (3)	−0.002 (3)
N10	0.015 (4)	0.018 (3)	0.026 (4)	0.001 (3)	−0.004 (3)	0.003 (3)
N11	0.018 (4)	0.019 (3)	0.023 (3)	0.000 (3)	−0.001 (3)	−0.002 (3)
N12	0.032 (4)	0.021 (4)	0.033 (4)	0.002 (3)	0.002 (3)	−0.008 (3)
N13	0.026 (4)	0.014 (3)	0.021 (4)	−0.005 (3)	−0.001 (3)	−0.002 (3)
N14	0.045 (6)	0.028 (4)	0.045 (5)	−0.002 (4)	−0.002 (4)	−0.021 (4)
C1	0.019 (5)	0.037 (5)	0.042 (5)	0.004 (4)	0.004 (4)	−0.002 (4)
C2	0.033 (6)	0.059 (6)	0.085 (8)	−0.019 (5)	0.000 (5)	0.038 (6)
C3	0.078 (10)	0.212 (17)	0.026 (6)	0.052 (10)	0.006 (6)	−0.031 (8)
C4	0.063 (8)	0.083 (8)	0.024 (5)	−0.025 (6)	−0.006 (5)	−0.015 (5)
C5	0.051 (6)	0.024 (4)	0.055 (6)	−0.001 (4)	−0.008 (5)	0.014 (4)
C6	0.026 (5)	0.026 (4)	0.046 (5)	0.008 (4)	−0.006 (4)	−0.013 (4)
C7	0.036 (6)	0.066 (8)	0.110 (10)	0.028 (5)	−0.040 (6)	−0.060 (8)
C8	0.098 (11)	0.209 (17)	0.048 (7)	−0.080 (11)	0.030 (7)	−0.065 (9)
C9	0.034 (5)	0.029 (4)	0.055 (6)	−0.004 (4)	−0.011 (4)	0.004 (4)
C10	0.026 (6)	0.146 (12)	0.103 (9)	0.008 (7)	0.001 (6)	0.080 (9)
C11	0.034 (6)	0.063 (7)	0.078 (7)	−0.015 (5)	0.012 (5)	−0.003 (6)
C12	0.048 (6)	0.053 (6)	0.039 (5)	−0.002 (5)	0.014 (4)	−0.001 (5)
C13	0.038 (6)	0.016 (4)	0.030 (5)	−0.009 (4)	0.005 (4)	−0.008 (4)
C14	0.035 (5)	0.033 (5)	0.069 (6)	−0.004 (4)	0.006 (5)	0.004 (5)
C15	0.061 (6)	0.033 (4)	0.027 (4)	−0.014 (4)	0.033 (4)	−0.008 (4)
C16	0.073 (8)	0.043 (5)	0.042 (5)	0.018 (5)	0.029 (5)	0.016 (5)
C17	0.035 (5)	0.031 (5)	0.024 (4)	0.002 (4)	−0.005 (4)	0.004 (4)
C18	0.038 (6)	0.041 (6)	0.039 (5)	0.004 (5)	−0.008 (4)	−0.004 (5)
C19	0.031 (5)	0.019 (4)	0.035 (5)	−0.005 (4)	0.000 (4)	0.000 (4)
C20	0.030 (5)	0.032 (5)	0.023 (4)	0.001 (4)	−0.007 (4)	0.005 (4)
C21	0.026 (5)	0.021 (4)	0.033 (4)	−0.001 (3)	−0.004 (4)	−0.011 (4)
C22	0.018 (5)	0.042 (5)	0.048 (6)	0.003 (4)	−0.004 (4)	0.009 (5)
C23	0.036 (6)	0.035 (5)	0.039 (5)	−0.001 (4)	0.006 (4)	−0.019 (4)
C24	0.037 (6)	0.033 (5)	0.028 (5)	0.001 (4)	−0.001 (4)	−0.005 (4)
Ce2	0.0105 (2)	0.0135 (2)	0.0153 (2)	−0.00026 (16)	0.00115 (16)	0.00153 (18)
P5	0.0228 (12)	0.0178 (10)	0.0198 (10)	−0.0028 (8)	−0.0006 (8)	0.0031 (9)
P6	0.0131 (10)	0.0177 (10)	0.0217 (10)	−0.0017 (7)	−0.0006 (8)	−0.0003 (8)
P7	0.0211 (11)	0.0218 (10)	0.0155 (10)	0.0000 (8)	0.0037 (8)	0.0041 (9)
P8	0.0109 (11)	0.0202 (10)	0.0258 (11)	0.0000 (8)	0.0018 (8)	−0.0042 (9)
O11	0.023 (3)	0.016 (3)	0.014 (3)	0.001 (2)	0.002 (2)	0.001 (2)
O12	0.011 (3)	0.026 (3)	0.024 (3)	−0.004 (2)	−0.007 (2)	0.002 (2)
O13	0.020 (3)	0.019 (3)	0.023 (3)	−0.002 (2)	0.001 (2)	0.006 (2)
O14	0.007 (3)	0.023 (3)	0.022 (3)	−0.001 (2)	0.004 (2)	−0.001 (2)
O15	0.012 (3)	0.026 (3)	0.027 (3)	−0.004 (2)	0.008 (2)	−0.004 (2)
O16	0.055 (5)	0.048 (4)	0.023 (3)	−0.007 (3)	0.009 (3)	−0.019 (3)
O17	0.021 (3)	0.026 (3)	0.032 (3)	0.008 (2)	0.001 (3)	−0.005 (3)
O18	0.023 (3)	0.024 (3)	0.020 (3)	0.002 (2)	0.001 (2)	0.002 (3)
O19	0.071 (5)	0.036 (4)	0.030 (4)	−0.018 (3)	0.011 (3)	−0.027 (3)
O20	0.032 (4)	0.022 (3)	0.021 (3)	−0.001 (3)	0.004 (3)	0.005 (3)
N15	0.023 (4)	0.021 (3)	0.047 (4)	−0.007 (3)	−0.009 (3)	0.007 (3)
N16	0.029 (4)	0.024 (3)	0.034 (4)	−0.004 (3)	0.002 (3)	0.012 (3)
N17	0.021 (4)	0.023 (4)	0.040 (4)	0.003 (3)	−0.005 (3)	−0.004 (3)
N18	0.021 (3)	0.022 (3)	0.028 (3)	−0.004 (3)	−0.005 (3)	0.009 (3)
N19	0.013 (4)	0.041 (4)	0.048 (4)	0.000 (3)	−0.004 (3)	−0.030 (4)
N20	0.028 (4)	0.014 (3)	0.025 (3)	−0.004 (3)	−0.007 (3)	0.000 (3)
N21	0.040 (5)	0.038 (4)	0.017 (3)	0.001 (3)	0.013 (3)	−0.007 (3)
N22	0.030 (4)	0.024 (4)	0.024 (4)	−0.007 (3)	0.003 (3)	−0.001 (3)
N23	0.026 (4)	0.035 (4)	0.031 (4)	−0.006 (3)	−0.002 (3)	0.009 (3)
N24	0.018 (4)	0.019 (3)	0.030 (4)	0.005 (3)	−0.009 (3)	−0.001 (3)
N25	0.015 (4)	0.028 (4)	0.040 (4)	0.002 (3)	0.001 (3)	−0.010 (3)
N26	0.025 (4)	0.026 (4)	0.019 (4)	0.002 (3)	0.005 (3)	−0.006 (3)
N27	0.045 (5)	0.021 (4)	0.020 (4)	−0.007 (3)	0.010 (3)	−0.003 (3)
N28	0.027 (5)	0.044 (5)	0.025 (4)	−0.007 (4)	0.006 (3)	−0.007 (4)
C25	0.013 (5)	0.050 (6)	0.045 (5)	0.004 (4)	0.004 (4)	0.005 (5)
C26	0.036 (6)	0.038 (5)	0.103 (8)	−0.019 (5)	−0.027 (6)	0.015 (6)
C27	0.054 (6)	0.042 (5)	0.034 (5)	−0.006 (4)	0.004 (4)	0.012 (4)
C28	0.064 (7)	0.036 (5)	0.023 (5)	−0.002 (5)	0.005 (5)	−0.005 (4)
C29	0.043 (6)	0.038 (5)	0.051 (5)	0.014 (4)	−0.009 (4)	−0.004 (5)
C30	0.064 (8)	0.077 (8)	0.063 (7)	0.022 (6)	−0.015 (6)	−0.037 (7)
C31	0.031 (5)	0.035 (4)	0.034 (4)	−0.011 (4)	−0.009 (4)	0.018 (4)
C32	0.035 (5)	0.043 (5)	0.036 (4)	0.000 (4)	−0.011 (4)	0.010 (4)
C33	0.017 (4)	0.042 (5)	0.064 (6)	0.008 (4)	−0.008 (4)	−0.034 (5)
C34	0.025 (5)	0.071 (7)	0.054 (5)	0.003 (5)	−0.003 (4)	−0.037 (5)
C35	0.030 (5)	0.017 (4)	0.050 (5)	−0.001 (3)	−0.005 (4)	−0.007 (4)
C36	0.056 (7)	0.034 (5)	0.039 (5)	−0.018 (5)	−0.004 (5)	0.018 (4)
C37	0.035 (6)	0.042 (5)	0.081 (7)	0.015 (4)	0.028 (5)	−0.020 (5)
C38	0.075 (9)	0.079 (8)	0.037 (6)	−0.010 (6)	0.011 (5)	−0.027 (6)
C39	0.057 (7)	0.036 (5)	0.038 (5)	−0.015 (4)	0.020 (5)	−0.003 (4)
C40	0.039 (6)	0.031 (5)	0.041 (5)	−0.003 (4)	0.009 (4)	0.000 (4)
C41	0.043 (6)	0.040 (5)	0.030 (5)	0.010 (4)	0.004 (4)	0.014 (4)
C42	0.044 (7)	0.042 (5)	0.064 (7)	−0.022 (5)	−0.018 (5)	0.014 (5)
C43	0.022 (5)	0.024 (4)	0.043 (5)	−0.006 (3)	0.002 (4)	0.012 (4)
C44	0.035 (6)	0.029 (5)	0.069 (7)	0.013 (4)	−0.025 (5)	0.002 (5)
C45	0.037 (5)	0.017 (4)	0.046 (5)	0.002 (3)	−0.011 (4)	−0.006 (4)
C46	0.026 (6)	0.047 (6)	0.065 (7)	0.000 (4)	0.008 (5)	−0.008 (5)
C47	0.040 (7)	0.067 (7)	0.048 (6)	−0.012 (5)	0.019 (5)	−0.019 (6)
C48	0.029 (6)	0.060 (6)	0.033 (5)	0.000 (5)	0.013 (4)	0.005 (5)
Ce3	0.0116 (2)	0.0123 (2)	0.0149 (2)	0.00061 (16)	0.00046 (16)	−0.00151 (18)
P9	0.0115 (10)	0.0173 (10)	0.0251 (11)	−0.0015 (8)	0.0010 (8)	0.0005 (9)
P10	0.0236 (12)	0.0197 (10)	0.0156 (10)	−0.0034 (9)	0.0041 (8)	−0.0046 (9)
P11	0.0144 (10)	0.0231 (10)	0.0221 (10)	0.0019 (8)	−0.0021 (8)	−0.0052 (9)
P12	0.0200 (11)	0.0144 (9)	0.0192 (10)	0.0026 (8)	0.0024 (8)	−0.0029 (8)
O21	0.018 (3)	0.021 (3)	0.022 (3)	−0.001 (2)	0.002 (2)	0.002 (2)
O22	0.029 (3)	0.016 (3)	0.025 (3)	0.000 (2)	0.003 (2)	−0.004 (2)
O23	0.007 (3)	0.031 (3)	0.025 (3)	−0.001 (2)	−0.003 (2)	−0.003 (3)
O24	0.018 (3)	0.018 (3)	0.023 (3)	0.003 (2)	0.000 (2)	−0.008 (2)
O25	0.022 (3)	0.018 (3)	0.030 (3)	−0.007 (2)	−0.006 (2)	0.008 (2)
O26	0.034 (4)	0.050 (4)	0.026 (3)	0.004 (3)	−0.001 (3)	0.022 (3)
O27	0.020 (3)	0.033 (3)	0.025 (3)	−0.006 (2)	0.003 (3)	0.002 (3)
O28	0.032 (4)	0.017 (3)	0.021 (3)	0.011 (2)	0.005 (2)	−0.001 (2)
O29	0.087 (6)	0.040 (4)	0.030 (4)	0.020 (4)	0.012 (4)	0.018 (3)
O30	0.041 (4)	0.023 (3)	0.024 (3)	0.006 (3)	0.005 (3)	0.000 (3)
N29	0.026 (4)	0.027 (4)	0.012 (3)	−0.002 (3)	0.005 (3)	0.002 (3)
N30	0.010 (4)	0.031 (4)	0.027 (4)	0.000 (3)	−0.002 (3)	−0.004 (3)
N31	0.015 (4)	0.019 (3)	0.029 (4)	0.001 (3)	0.005 (3)	0.004 (3)
N32	0.028 (4)	0.025 (4)	0.025 (4)	0.008 (3)	0.007 (3)	−0.012 (3)
N33	0.027 (4)	0.024 (4)	0.028 (4)	−0.002 (3)	−0.003 (3)	−0.014 (3)
N34	0.034 (4)	0.040 (4)	0.020 (3)	−0.021 (3)	0.003 (3)	−0.006 (3)
N35	0.029 (4)	0.021 (3)	0.023 (3)	0.002 (3)	0.007 (3)	0.002 (3)
N36	0.014 (3)	0.043 (4)	0.046 (4)	0.009 (3)	−0.013 (3)	−0.030 (3)
N37	0.017 (3)	0.023 (3)	0.027 (3)	0.001 (3)	−0.003 (3)	0.006 (3)
N38	0.026 (4)	0.037 (4)	0.019 (3)	0.001 (3)	0.005 (3)	−0.004 (3)
N39	0.026 (4)	0.011 (3)	0.037 (4)	0.001 (3)	0.002 (3)	−0.009 (3)
N40	0.024 (4)	0.015 (3)	0.025 (3)	0.007 (3)	−0.002 (3)	−0.003 (3)
N41	0.018 (4)	0.023 (3)	0.019 (4)	0.002 (3)	0.002 (3)	0.001 (3)
N42	0.034 (4)	0.021 (4)	0.016 (3)	0.009 (3)	−0.003 (3)	0.002 (3)
C49	0.053 (7)	0.037 (5)	0.024 (5)	−0.009 (5)	−0.001 (4)	0.001 (4)
C50	0.039 (6)	0.014 (4)	0.043 (5)	−0.005 (4)	0.017 (4)	0.011 (4)
C51	0.023 (5)	0.019 (4)	0.037 (5)	0.000 (3)	−0.001 (4)	−0.003 (4)
C52	0.013 (4)	0.031 (5)	0.047 (5)	0.000 (3)	0.000 (4)	−0.005 (4)
C53	0.017 (5)	0.027 (4)	0.041 (5)	0.007 (3)	0.009 (4)	−0.006 (4)
C54	0.017 (4)	0.031 (5)	0.040 (5)	0.006 (3)	−0.011 (4)	−0.006 (4)
C55	0.041 (6)	0.070 (7)	0.059 (6)	0.023 (5)	0.017 (5)	−0.020 (6)
C56	0.044 (6)	0.013 (4)	0.023 (4)	−0.010 (4)	−0.005 (4)	0.001 (4)
C57	0.043 (6)	0.033 (5)	0.040 (5)	−0.006 (4)	0.003 (4)	−0.030 (5)
C58	0.031 (6)	0.049 (6)	0.043 (6)	0.001 (5)	−0.001 (4)	−0.008 (5)
C59	0.080 (9)	0.095 (9)	0.019 (5)	−0.053 (7)	0.003 (5)	−0.003 (5)
C60	0.088 (9)	0.092 (8)	0.032 (5)	−0.058 (7)	0.007 (5)	−0.005 (5)
C61	0.037 (5)	0.026 (4)	0.046 (5)	0.001 (4)	−0.003 (4)	0.002 (4)
C62	0.051 (6)	0.057 (6)	0.030 (5)	0.021 (5)	0.004 (4)	0.025 (4)
C63	0.035 (6)	0.072 (7)	0.090 (8)	0.007 (5)	−0.025 (5)	−0.060 (6)
C64	0.035 (6)	0.078 (8)	0.083 (8)	0.009 (5)	−0.017 (5)	−0.049 (7)
C65	0.021 (5)	0.031 (4)	0.044 (5)	0.003 (4)	0.006 (4)	0.005 (4)
C66	0.018 (4)	0.032 (4)	0.037 (4)	−0.001 (3)	0.000 (3)	0.012 (4)
C67	0.046 (6)	0.063 (6)	0.038 (5)	−0.020 (5)	0.000 (4)	0.010 (5)
C68	0.058 (7)	0.050 (6)	0.023 (5)	0.002 (5)	−0.007 (4)	0.001 (4)
C69	0.043 (6)	0.024 (4)	0.055 (5)	0.000 (4)	−0.007 (4)	−0.014 (4)
C70	0.032 (6)	0.037 (5)	0.057 (6)	−0.010 (4)	−0.001 (5)	0.009 (5)
C71	0.025 (5)	0.037 (5)	0.068 (6)	0.008 (4)	0.000 (4)	−0.024 (5)
C72	0.026 (5)	0.039 (5)	0.038 (5)	0.008 (4)	−0.001 (4)	0.003 (4)
Ce4	0.0111 (2)	0.0124 (2)	0.0183 (2)	0.00022 (16)	0.00083 (16)	−0.00175 (18)
P13	0.0233 (12)	0.0144 (10)	0.0216 (10)	0.0010 (8)	0.0041 (8)	−0.0045 (9)
P14	0.0120 (10)	0.0173 (9)	0.0222 (10)	−0.0002 (7)	−0.0003 (8)	0.0010 (8)
P15	0.0228 (11)	0.0171 (10)	0.0215 (10)	0.0014 (8)	0.0036 (8)	−0.0009 (9)
P16	0.0119 (11)	0.0187 (10)	0.0234 (11)	−0.0017 (8)	0.0018 (8)	0.0004 (9)
O31	0.026 (3)	0.020 (3)	0.023 (3)	0.004 (2)	0.006 (2)	−0.004 (2)
O32	0.014 (3)	0.024 (3)	0.030 (3)	0.002 (2)	−0.004 (2)	0.000 (3)
O33	0.026 (3)	0.028 (3)	0.018 (3)	0.006 (2)	0.005 (2)	−0.015 (2)
O34	0.022 (3)	0.017 (3)	0.034 (3)	−0.006 (2)	−0.002 (2)	−0.002 (2)
O35	0.016 (3)	0.033 (3)	0.034 (3)	0.001 (2)	0.004 (2)	0.012 (3)
O36	0.051 (5)	0.040 (4)	0.033 (4)	0.001 (3)	0.005 (3)	0.016 (3)
O37	0.027 (4)	0.029 (3)	0.027 (3)	−0.009 (3)	0.006 (3)	0.000 (3)
O38	0.030 (4)	0.017 (3)	0.030 (3)	0.003 (2)	−0.003 (3)	0.002 (3)
O39	0.054 (4)	0.018 (3)	0.026 (3)	−0.002 (3)	0.001 (3)	0.007 (3)
O40	0.033 (4)	0.013 (3)	0.029 (3)	0.007 (2)	0.000 (3)	−0.007 (3)
N43	0.027 (4)	0.018 (3)	0.028 (3)	0.005 (3)	−0.001 (3)	−0.007 (3)
N44	0.036 (4)	0.014 (3)	0.027 (4)	−0.001 (3)	0.007 (3)	0.006 (3)
N45	0.040 (4)	0.019 (3)	0.021 (3)	−0.002 (3)	0.009 (3)	−0.007 (3)
N46	0.016 (3)	0.030 (3)	0.024 (3)	0.008 (3)	−0.006 (2)	−0.011 (3)
N47	0.009 (3)	0.034 (4)	0.039 (4)	0.001 (3)	0.001 (3)	0.023 (3)
N48	0.025 (4)	0.020 (3)	0.021 (3)	−0.002 (3)	0.007 (3)	0.003 (3)
N49	0.033 (4)	0.036 (4)	0.029 (4)	0.003 (3)	0.010 (3)	0.003 (3)
N50	0.029 (4)	0.019 (3)	0.021 (3)	−0.002 (3)	0.012 (3)	0.001 (3)
N51	0.037 (5)	0.035 (4)	0.029 (4)	0.000 (3)	−0.005 (3)	−0.012 (3)
N52	0.028 (4)	0.029 (4)	0.021 (4)	−0.006 (3)	−0.004 (3)	0.004 (3)
N53	0.017 (4)	0.028 (4)	0.020 (3)	0.000 (3)	0.001 (3)	−0.003 (3)
N54	0.015 (4)	0.022 (3)	0.036 (4)	0.003 (3)	0.003 (3)	0.002 (3)
N55	0.024 (4)	0.017 (3)	0.025 (4)	0.003 (3)	−0.001 (3)	−0.001 (3)
N56	0.017 (4)	0.014 (3)	0.027 (4)	0.002 (3)	−0.010 (3)	−0.001 (3)
C73	0.018 (5)	0.032 (5)	0.035 (5)	0.009 (4)	0.000 (4)	0.003 (4)
C74	0.046 (6)	0.028 (5)	0.051 (5)	0.019 (4)	−0.004 (4)	−0.007 (4)
C75	0.057 (7)	0.066 (7)	0.055 (6)	−0.015 (6)	0.004 (5)	0.035 (6)
C76	0.031 (5)	0.036 (5)	0.073 (6)	−0.008 (4)	−0.008 (5)	0.010 (5)
C77	0.059 (7)	0.030 (5)	0.035 (5)	0.006 (4)	−0.002 (4)	−0.013 (4)
C78	0.048 (6)	0.027 (5)	0.028 (5)	0.004 (4)	0.010 (4)	0.001 (4)
C79	0.031 (5)	0.033 (4)	0.033 (4)	0.011 (4)	0.003 (4)	−0.017 (4)
C80	0.023 (4)	0.026 (4)	0.034 (4)	0.006 (3)	−0.008 (3)	0.000 (4)
C81	0.033 (6)	0.061 (7)	0.179 (13)	−0.001 (5)	0.014 (7)	0.081 (8)
C82	0.007 (4)	0.044 (5)	0.065 (6)	0.002 (4)	0.001 (4)	0.027 (5)
C83	0.043 (6)	0.036 (5)	0.037 (5)	0.013 (4)	0.002 (4)	−0.012 (4)
C84	0.026 (5)	0.028 (4)	0.043 (5)	−0.001 (4)	−0.004 (4)	0.006 (4)
C85	0.046 (6)	0.040 (5)	0.063 (6)	−0.022 (4)	0.029 (5)	−0.012 (5)
C86	0.066 (8)	0.092 (9)	0.034 (5)	0.012 (6)	0.015 (5)	0.025 (6)
C87	0.033 (5)	0.036 (5)	0.045 (5)	0.009 (4)	0.010 (4)	0.000 (4)
C88	0.042 (6)	0.021 (5)	0.039 (5)	−0.003 (4)	0.010 (4)	−0.005 (4)
C89	0.040 (6)	0.068 (8)	0.059 (7)	0.008 (5)	−0.021 (5)	−0.017 (6)
C90	0.058 (7)	0.043 (6)	0.028 (5)	−0.006 (5)	0.005 (4)	−0.017 (5)
C91	0.047 (7)	0.022 (5)	0.046 (6)	−0.023 (4)	0.010 (5)	0.005 (4)
C92	0.056 (7)	0.049 (6)	0.031 (5)	−0.013 (5)	0.000 (5)	0.003 (5)
C93	0.041 (6)	0.042 (6)	0.036 (5)	−0.004 (5)	−0.011 (4)	−0.008 (5)
C94	0.026 (5)	0.038 (5)	0.034 (5)	−0.009 (4)	−0.004 (4)	−0.003 (4)
C95	0.007 (4)	0.050 (6)	0.064 (7)	0.008 (4)	0.007 (4)	0.004 (5)
C96	0.014 (4)	0.041 (5)	0.057 (6)	0.005 (4)	−0.015 (4)	−0.001 (5)

Bond lengths (Å) top

W1—S2	2.202 (2)	C42—H42A	0.9600
W1—S1	2.203 (2)	C42—H42B	0.9600
W1—S4	2.205 (2)	C42—H42C	0.9600
W1—S3	2.217 (2)	C43—H43A	0.9600
W1—Ag1	2.9307 (9)	C43—H43B	0.9600
W1—Ag4	2.9424 (9)	C43—H43C	0.9600
W2—S5	2.203 (2)	C44—H44A	0.9600
W2—S6	2.206 (2)	C44—H44B	0.9600
W2—S8	2.208 (2)	C44—H44C	0.9600
W2—S7	2.209 (2)	C45—H45A	0.9600
W2—Ag2	2.9320 (9)	C45—H45B	0.9600
W2—Ag1	2.9458 (9)	C45—H45C	0.9600
W3—S9	2.196 (2)	C46—H46A	0.9600
W3—S12	2.207 (2)	C46—H46B	0.9600
W3—S10	2.207 (2)	C46—H46C	0.9600
W3—S11	2.216 (2)	C47—H47A	0.9600
W3—Ag2	2.9300 (9)	C47—H47B	0.9600
W3—Ag3	2.9307 (9)	C47—H47C	0.9600
W4—S13	2.201 (2)	C48—H48A	0.9600
W4—S14	2.207 (2)	C48—H48B	0.9600
W4—S16	2.207 (2)	C48—H48C	0.9600
W4—S15	2.211 (2)	Ce3—O23	2.358 (5)
W4—Ag4ⁱ	2.9292 (9)	Ce3—O21	2.372 (6)
W4—Ag3	2.9402 (9)	Ce3—O22	2.375 (5)
Ag1—S3	2.479 (2)	Ce3—O24	2.406 (5)
Ag1—S4	2.572 (2)	Ce3—O30	2.580 (6)
Ag1—S6	2.605 (3)	Ce3—O25	2.589 (5)
Ag1—S5	2.626 (3)	Ce3—O28	2.593 (6)
Ag2—S8	2.480 (2)	Ce3—O27	2.599 (6)
Ag2—S7	2.571 (2)	Ce3—N41	3.023 (7)
Ag2—S9	2.600 (3)	Ce3—N42	3.025 (7)
Ag2—S10	2.602 (2)	P9—O21	1.510 (6)
Ag3—S11	2.476 (2)	P9—N29	1.610 (7)
Ag3—S12	2.568 (2)	P9—N30	1.633 (7)
Ag3—S14	2.616 (2)	P9—N31	1.641 (7)
Ag3—S13	2.650 (3)	P10—O22	1.494 (6)
Ag4—S16ⁱⁱ	2.487 (2)	P10—N32	1.624 (7)
Ag4—S15ⁱⁱ	2.577 (2)	P10—N34	1.627 (7)
Ag4—S2	2.633 (2)	P10—N33	1.630 (7)
Ag4—S1	2.643 (3)	P11—O23	1.506 (5)
Ag4—W4ⁱⁱ	2.9292 (9)	P11—N35	1.615 (6)
S15—Ag4ⁱ	2.577 (2)	P11—N36	1.632 (6)
S16—Ag4ⁱ	2.487 (2)	P11—N37	1.653 (6)
Ce1—O2	2.363 (5)	P12—O24	1.502 (5)
Ce1—O4	2.382 (5)	P12—N40	1.631 (7)
Ce1—O3	2.391 (5)	P12—N39	1.638 (6)
Ce1—O1	2.409 (5)	P12—N38	1.645 (7)
Ce1—O7	2.576 (6)	O25—N41	1.284 (9)
Ce1—O8	2.583 (6)	O26—N41	1.230 (9)
Ce1—O10	2.595 (5)	O27—N41	1.262 (9)
Ce1—O5	2.628 (6)	O28—N42	1.264 (9)
Ce1—N14	3.002 (8)	O29—N42	1.199 (9)
Ce1—N13	3.021 (7)	O30—N42	1.306 (9)
P1—O1	1.486 (5)	N29—C50	1.463 (10)
P1—N1	1.628 (7)	N29—C49	1.473 (11)
P1—N3	1.631 (6)	N30—C52	1.441 (10)
P1—N2	1.647 (7)	N30—C51	1.474 (10)
P2—O2	1.502 (6)	N31—C53	1.450 (10)
P2—N4	1.589 (8)	N31—C54	1.471 (10)
P2—N6	1.614 (7)	N32—C55	1.463 (10)
P2—N5	1.634 (7)	N32—C56	1.485 (10)
P3—O3	1.491 (5)	N33—C58	1.434 (12)
P3—N8	1.641 (7)	N33—C57	1.464 (10)
P3—N9	1.642 (7)	N34—C59	1.459 (10)
P3—N7	1.645 (7)	N34—C60	1.466 (11)
P4—O4	1.490 (6)	N35—C62	1.464 (10)
P4—N11	1.632 (7)	N35—C61	1.480 (10)
P4—N12	1.635 (7)	N36—C64	1.400 (10)
P4—N10	1.637 (7)	N36—C63	1.481 (10)
O5—N14	1.282 (10)	N37—C66	1.459 (9)
O6—N14	1.228 (10)	N37—C65	1.470 (9)
O7—N14	1.258 (10)	N38—C68	1.455 (11)
O8—N13	1.240 (9)	N38—C67	1.461 (10)
O9—N13	1.214 (9)	N39—C70	1.441 (10)
O10—N13	1.279 (9)	N39—C69	1.466 (9)
N1—C1	1.458 (10)	N40—C72	1.456 (10)
N1—C2	1.476 (10)	N40—C71	1.471 (9)
N2—C3	1.407 (12)	C49—H49A	0.9600
N2—C4	1.460 (11)	C49—H49B	0.9600
N3—C6	1.462 (9)	C49—H49C	0.9600
N3—C5	1.473 (9)	C50—H50A	0.9600
N4—C7	1.449 (13)	C50—H50B	0.9600
N4—C8	1.471 (12)	C50—H50C	0.9600
N5—C9	1.406 (10)	C51—H51A	0.9600
N5—C10	1.472 (11)	C51—H51B	0.9600
N6—C11	1.452 (10)	C51—H51C	0.9600
N6—C12	1.460 (10)	C52—H52A	0.9600
N7—C13	1.449 (10)	C52—H52B	0.9600
N7—C14	1.458 (11)	C52—H52C	0.9600
N8—C15	1.419 (10)	C53—H53A	0.9600
N8—C16	1.465 (10)	C53—H53B	0.9600
N9—C17	1.458 (10)	C53—H53C	0.9600
N9—C18	1.475 (11)	C54—H54A	0.9600
N10—C19	1.448 (11)	C54—H54B	0.9600
N10—C20	1.461 (10)	C54—H54C	0.9600
N11—C21	1.454 (9)	C55—H55A	0.9600
N11—C22	1.481 (11)	C55—H55B	0.9600
N12—C23	1.443 (11)	C55—H55C	0.9600
N12—C24	1.476 (11)	C56—H56A	0.9600
C1—H1A	0.9600	C56—H56B	0.9600
C1—H1B	0.9600	C56—H56C	0.9600
C1—H1C	0.9600	C57—H57A	0.9600
C2—H2A	0.9600	C57—H57B	0.9600
C2—H2B	0.9600	C57—H57C	0.9600
C2—H2C	0.9600	C58—H58A	0.9600
C3—H3A	0.9600	C58—H58B	0.9600
C3—H3B	0.9600	C58—H58C	0.9600
C3—H3C	0.9600	C59—H59A	0.9600
C4—H4A	0.9600	C59—H59B	0.9600
C4—H4B	0.9600	C59—H59C	0.9600
C4—H4C	0.9600	C60—H60A	0.9600
C5—H5A	0.9600	C60—H60B	0.9600
C5—H5B	0.9600	C60—H60C	0.9600
C5—H5C	0.9600	C61—H61A	0.9600
C6—H6A	0.9600	C61—H61B	0.9600
C6—H6B	0.9600	C61—H61C	0.9600
C6—H6C	0.9600	C62—H62A	0.9600
C7—H7A	0.9600	C62—H62B	0.9600
C7—H7B	0.9600	C62—H62C	0.9600
C7—H7C	0.9600	C63—H63A	0.9600
C8—H8A	0.9600	C63—H63B	0.9600
C8—H8B	0.9600	C63—H63C	0.9600
C8—H8C	0.9600	C64—H64A	0.9600
C9—H9A	0.9600	C64—H64B	0.9600
C9—H9B	0.9600	C64—H64C	0.9600
C9—H9C	0.9600	C65—H65A	0.9600
C10—H10A	0.9600	C65—H65B	0.9600
C10—H10B	0.9600	C65—H65C	0.9600
C10—H10C	0.9600	C66—H66A	0.9600
C11—H11A	0.9600	C66—H66B	0.9600
C11—H11B	0.9600	C66—H66C	0.9600
C11—H11C	0.9600	C67—H67A	0.9600
C12—H12A	0.9600	C67—H67B	0.9600
C12—H12B	0.9600	C67—H67C	0.9600
C12—H12C	0.9600	C68—H68A	0.9600
C13—H13A	0.9600	C68—H68B	0.9600
C13—H13B	0.9600	C68—H68C	0.9600
C13—H13C	0.9600	C69—H69A	0.9600
C14—H14A	0.9600	C69—H69B	0.9600
C14—H14B	0.9600	C69—H69C	0.9600
C14—H14C	0.9600	C70—H70A	0.9600
C15—H15A	0.9600	C70—H70B	0.9600
C15—H15B	0.9600	C70—H70C	0.9600
C15—H15C	0.9600	C71—H71A	0.9600
C16—H16A	0.9600	C71—H71B	0.9600
C16—H16B	0.9600	C71—H71C	0.9600
C16—H16C	0.9600	C72—H72A	0.9600
C17—H17A	0.9600	C72—H72B	0.9600
C17—H17B	0.9600	C72—H72C	0.9600
C17—H17C	0.9600	Ce4—O34	2.350 (6)
C18—H18A	0.9600	Ce4—O32	2.360 (5)
C18—H18B	0.9600	Ce4—O33	2.365 (5)
C18—H18C	0.9600	Ce4—O31	2.398 (5)
C19—H19A	0.9600	Ce4—O40	2.583 (6)
C19—H19B	0.9600	Ce4—O38	2.606 (6)
C19—H19C	0.9600	Ce4—O35	2.609 (6)
C20—H20A	0.9600	Ce4—O37	2.620 (6)
C20—H20B	0.9600	Ce4—N55	3.025 (7)
C20—H20C	0.9600	Ce4—N56	3.028 (7)
C21—H21A	0.9600	P13—O31	1.488 (6)
C21—H21B	0.9600	P13—N44	1.633 (7)
C21—H21C	0.9600	P13—N45	1.634 (6)
C22—H22A	0.9600	P13—N43	1.635 (7)
C22—H22B	0.9600	P14—O32	1.499 (5)
C22—H22C	0.9600	P14—N48	1.612 (7)
C23—H23A	0.9600	P14—N47	1.631 (6)
C23—H23B	0.9600	P14—N46	1.668 (6)
C23—H23C	0.9600	P15—O33	1.501 (5)
C24—H24A	0.9600	P15—N49	1.623 (7)
C24—H24B	0.9600	P15—N50	1.625 (7)
C24—H24C	0.9600	P15—N51	1.634 (8)
Ce2—O12	2.368 (5)	P16—O34	1.504 (6)
Ce2—O13	2.372 (5)	P16—N52	1.617 (7)
Ce2—O14	2.380 (5)	P16—N53	1.626 (7)
Ce2—O11	2.411 (5)	P16—N54	1.633 (7)
Ce2—O20	2.588 (6)	O35—N55	1.309 (9)
Ce2—O15	2.596 (6)	O36—N55	1.228 (9)
Ce2—O18	2.610 (6)	O37—N55	1.257 (9)
Ce2—O17	2.610 (6)	O38—N56	1.294 (9)
Ce2—N28	3.018 (8)	O39—N56	1.213 (9)
Ce2—N27	3.019 (7)	O40—N56	1.275 (9)
P5—O11	1.487 (5)	N43—C73	1.464 (10)
P5—N17	1.624 (7)	N43—C74	1.466 (9)
P5—N15	1.642 (7)	N44—C75	1.453 (10)
P5—N16	1.644 (7)	N44—C76	1.469 (10)
P6—O12	1.497 (5)	N45—C77	1.468 (9)
P6—N19	1.623 (7)	N45—C78	1.473 (10)
P6—N20	1.630 (6)	N46—C80	1.469 (8)
P6—N18	1.645 (6)	N46—C79	1.473 (9)
P7—O13	1.488 (6)	N47—C81	1.432 (10)
P7—N21	1.617 (7)	N47—C82	1.457 (9)
P7—N23	1.635 (8)	N48—C84	1.461 (10)
P7—N22	1.637 (7)	N48—C83	1.479 (10)
P8—O14	1.483 (6)	N49—C86	1.459 (10)
P8—N24	1.633 (7)	N49—C85	1.476 (10)
P8—N25	1.635 (7)	N50—C88	1.465 (10)
P8—N26	1.640 (7)	N50—C87	1.483 (10)
O15—N27	1.268 (9)	N51—C90	1.436 (10)
O16—N27	1.212 (9)	N51—C89	1.468 (12)
O17—N27	1.279 (9)	N52—C92	1.449 (11)
O18—N28	1.266 (9)	N52—C91	1.495 (11)
O19—N28	1.242 (9)	N53—C94	1.457 (10)
O20—N28	1.260 (10)	N53—C93	1.461 (11)
N15—C25	1.454 (10)	N54—C95	1.447 (10)
N15—C26	1.465 (10)	N54—C96	1.470 (10)
N16—C28	1.459 (10)	C73—H73A	0.9600
N16—C27	1.467 (10)	C73—H73B	0.9600
N17—C29	1.446 (10)	C73—H73C	0.9600
N17—C30	1.481 (11)	C74—H74A	0.9600
N18—C31	1.448 (9)	C74—H74B	0.9600
N18—C32	1.470 (9)	C74—H74C	0.9600
N19—C33	1.438 (9)	C75—H75A	0.9600
N19—C34	1.465 (10)	C75—H75B	0.9600
N20—C35	1.451 (10)	C75—H75C	0.9600
N20—C36	1.476 (10)	C76—H76A	0.9600
N21—C37	1.449 (11)	C76—H76B	0.9600
N21—C38	1.462 (11)	C76—H76C	0.9600
N22—C40	1.427 (11)	C77—H77A	0.9600
N22—C39	1.457 (10)	C77—H77B	0.9600
N23—C41	1.465 (11)	C77—H77C	0.9600
N23—C42	1.467 (12)	C78—H78A	0.9600
N24—C43	1.448 (11)	C78—H78B	0.9600
N24—C44	1.476 (11)	C78—H78C	0.9600
N25—C45	1.467 (10)	C79—H79A	0.9600
N25—C46	1.473 (11)	C79—H79B	0.9600
N26—C48	1.441 (11)	C79—H79C	0.9600
N26—C47	1.462 (13)	C80—H80A	0.9600
C25—H25A	0.9600	C80—H80B	0.9600
C25—H25B	0.9600	C80—H80C	0.9600
C25—H25C	0.9600	C81—H81A	0.9600
C26—H26A	0.9600	C81—H81B	0.9600
C26—H26B	0.9600	C81—H81C	0.9600
C26—H26C	0.9600	C82—H82A	0.9600
C27—H27A	0.9600	C82—H82B	0.9600
C27—H27B	0.9600	C82—H82C	0.9600
C27—H27C	0.9600	C83—H83A	0.9600
C28—H28A	0.9600	C83—H83B	0.9600
C28—H28B	0.9600	C83—H83C	0.9600
C28—H28C	0.9600	C84—H84A	0.9600
C29—H29A	0.9600	C84—H84B	0.9600
C29—H29B	0.9600	C84—H84C	0.9600
C29—H29C	0.9600	C85—H85A	0.9600
C30—H30A	0.9600	C85—H85B	0.9600
C30—H30B	0.9600	C85—H85C	0.9600
C30—H30C	0.9600	C86—H86A	0.9600
C31—H31A	0.9600	C86—H86B	0.9600
C31—H31B	0.9600	C86—H86C	0.9600
C31—H31C	0.9600	C87—H87A	0.9600
C32—H32A	0.9600	C87—H87B	0.9600
C32—H32B	0.9600	C87—H87C	0.9600
C32—H32C	0.9600	C88—H88A	0.9600
C33—H33A	0.9600	C88—H88B	0.9600
C33—H33B	0.9600	C88—H88C	0.9600
C33—H33C	0.9600	C89—H89A	0.9600
C34—H34A	0.9600	C89—H89B	0.9600
C34—H34B	0.9600	C89—H89C	0.9600
C34—H34C	0.9600	C90—H90A	0.9600
C35—H35A	0.9600	C90—H90B	0.9600
C35—H35B	0.9600	C90—H90C	0.9600
C35—H35C	0.9600	C91—H91A	0.9600
C36—H36A	0.9600	C91—H91B	0.9600
C36—H36B	0.9600	C91—H91C	0.9600
C36—H36C	0.9600	C92—H92A	0.9600
C37—H37A	0.9600	C92—H92B	0.9600
C37—H37B	0.9600	C92—H92C	0.9600
C37—H37C	0.9600	C93—H93A	0.9600
C38—H38A	0.9600	C93—H93B	0.9600
C38—H38B	0.9600	C93—H93C	0.9600
C38—H38C	0.9600	C94—H94A	0.9600
C39—H39A	0.9600	C94—H94B	0.9600
C39—H39B	0.9600	C94—H94C	0.9600
C39—H39C	0.9600	C95—H95A	0.9600
C40—H40A	0.9600	C95—H95B	0.9600
C40—H40B	0.9600	C95—H95C	0.9600
C40—H40C	0.9600	C96—H96A	0.9600
C41—H41A	0.9600	C96—H96B	0.9600
C41—H41B	0.9600	C96—H96C	0.9600
C41—H41C	0.9600

Symmetry codes: (i) x, y, z−1; (ii) x, y, z+1.

Experimental details

Crystal data
Chemical formula	[Ce(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]
M_r	1400.92
Crystal system, space group	Monoclinic, P2₁
Temperature (K)	153
a, b, c (Å)	15.639 (3), 30.002 (6), 22.532 (4)
β (°)	90.53 (3)
V (Å³)	10572 (3)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	3.72
Crystal size (mm)	0.3 × 0.22 × 0.20

Data collection
Diffractometer	Rigaku Saturn724+ (2x2 bin mode)
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2007)
T_min, T_max	0.390, 0.475
No. of measured, independent and observed [I > 2σ(I)] reflections	49779, 34142, 32497
R_int	0.024
(sin θ/λ)_max (Å⁻¹)	0.602

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.034, 0.068, 1.06
No. of reflections	34142
No. of parameters	2221
No. of restraints	1
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.74, −0.96
Absolute structure	Flack (1983), 14534 Friedel pairs
Absolute structure parameter	0.286 (4)

Computer programs: CrystalClear (Rigaku, 2007), SHELXTL (Sheldrick, 2008).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant No. 50472048) and the Program for New Century Excellent Talents in University (grant No. NCET-05-0499).

References

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