catena-Poly[[tetra­kis(hexa­methyl­phos­pho­ramide-κO)bis­(nitrato-κ2O,O′)neodymium(III)] [silver(I)-di-μ2-sulfido-tungsten(VI)-di-μ2-sulfido]]

Tang, G.; Zhang, J.; Zhang, C.

doi:10.1107/S1600536808001256

catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ²O,O′)neodymium(III)] [silver(I)-di-μ₂-sulfido-tungsten(VI)-di-μ₂-sulfido]]

In the title compound, {[Nd(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]}_n, the central Nd atom of the monovalent cation is coordinated by eight O atoms from two nitrate and four hexamethylphosphoramide ligands. The monovalent anion, {[WS₄Ag]⁻}_n, forms a polymeric chain in a distorted linear configuration with W—Ag—W and Ag—W—Ag angles of 163.81 (3) and 154.786 (12)°, respectively. Thirteen C and three N atoms are disordered equally over two positions. One C atom is disordered over two positions with site occupancy factors of 0.6 and 0.4.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536808001256/pv2063sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536808001256/pv2063Isup2.hkl Contains datablock I

CCDC reference: 680610

checkCIF report

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (N-C) = 0.015 Å
Disorder in main residue
R factor = 0.050
wR factor = 0.109
Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found



Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.132     0.329
            Tmin(prime) and Tmax expected:      0.463     0.687
            RR(prime) =      0.594
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.59
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          1
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         N4
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         C3
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C3'
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C24'
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         P2
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         N2
PLAT412_ALERT_2_B Short Intra XH3 .. XHn     H4B    ..  H5B     ..       1.78 Ang.

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       2.09
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.65 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.51 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C22'
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Nd1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N5
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       N12'
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C10'
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         W1
PLAT301_ALERT_3_C Main Residue  Disorder .........................      24.00 Perc.
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H4A    ..  H3'3    ..       1.89 Ang.
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H6C    ..  H5'A    ..       1.88 Ang.
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H7B    ..  H12E    ..       1.87 Ang.
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H3A    ..  H7A     ..       2.14 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         12

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      2.090
            Tmax scaled      0.687 Tmin scaled      0.275
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         28

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

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

Comment top

One-dimensional Mo(W)/S/Ag anionic polymers have attracted much attention for their configurational isomerism (Niu et al., 2004, and references therein) and potential applications, especially in third-order nonlinear optical (NLO) materials. (Zhang, Song et al., 2007). Different solvent-coordinated rare-earth cations proved effective to obtain various configurations of anionic chains (Niu et al., 2004, and references therein). The title compound, {[Nd(hmp)₄(NO₃)₂][WS₄Ag]}_n (hmp = hexamethylphosphoramide) with a wave-like anionic chain was prepared by following such route using Nd(III)-hmp complex as counterion.

In possession of two nitrate ligands, the cation in the title compound is univalent (Fig. 1), which leads to an anionic chain with a univalent repeat unit, unlike other solvent-coordinated rare-earth cations, in the literature (Niu et al., 2004, and references therein), which are trivalent and induce trivalent repeat units. For example, [Nd(dmf)₈]³⁺ induces an anionic chain with a trivalent repeat unit [W₄S₁₆Ag₅]^3- (Huang et al., 1996).

As illustrated in Fig. 2, the anionic chain in the title compound has a distorted linear configuration with W—Ag—W and Ag—W—Ag angles of 163.81 (3) and 154.786 (12) °, respectively, unlike those in {(γ-MePyH)[WS₄Ag]}_n (Lang et al. 1993) and {[NH₃C(CH₂OH)₃][WS₄Ag](2DMF)}_n (Huang et al., 1997), showing an ideal linear chain and a nearly linear chain, respectively. This observation suggests that cations with bigger bulk lead to more distorted anionic chains.

Similar angles for W—Ag—W and Ag—W—Ag are found in two distorted linear chains in {[Eu(hmp)₄(NO₃)₂][WS₄Ag]}_n (Zhang, Qian et al., 2007) and {[Y(hmp)₄(NO₃)₂][WS₄Ag]}_n (Zhang, Cao et al., 2007), implying that different rare earth cations with the same coordination environments will result in the same anionic structures.

Related literature top

For related structures, see: Lang et al. (1993); Huang et al. (1996, 1997); Zhang, Qian et al. (2007); Zhang, Cao et al. (2007). For a review of polymeric Mo(W)/S/Ag(Cu) clusters, see: Niu et al. (2004, and references therein). For third-order nonlinear optical properties, see: Zhang, Song et al. (2007).

Experimental top

Ag₂S (0.25 g, 1 mmol) was added to a solution of (NH₄)₂WS₄ (0.70 g, 2 mmol in 30 ml h mp) with thorough stirring for 10 h. The solution underwent an additional stir for one minute after Nd(NO₃)₃6H₂O (0.44 g, 1 mmol) was added. After filtration the orange-red filtrate was carefully laid on the surface with 30 ml i-PrOH. Orange-red block crystals were obtained after ten days. Yield: 1.129 g in pure form, 40.2% (based on W).

Computing details top

Data collection: CrystalClear (Rigaku Corporation, 2000); cell refinement: CrystalClear (Rigaku Corporation, 2000); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXL97 (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the cation in the title compound, with atom labels and 30% probability displacement ellipsoids. All H atoms have been omitted for clarity.
	Fig. 2. A portion of the anionic chain in the title compound, with atom labels and 30% probability displacement ellipsoids. (symmetry codes: i x, -y + 1/2, z - 1/2; ii x, y, z - 1; iii x, -y + 1/2, z - 1.5)

catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato- κ²O,O')neodymium(III)] [silver(I)-di-µ₂-sulfido-tungsten(VI)-di-µ₂-sulfido]] top

Crystal data top

[Nd(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]	F(000) = 2796.0
M_r = 1405.07	D_x = 1.727 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2ybc	Cell parameters from 19261 reflections
a = 15.8250 (19) Å	θ = 3.0–25.4°
b = 29.873 (4) Å	µ = 3.76 mm⁻¹
c = 11.4345 (13) Å	T = 153 K
β = 90.689 (3)°	Block, orange–red
V = 5405.2 (12) Å³	0.2 × 0.15 × 0.1 mm
Z = 4

Data collection top

Rigaku Mercury diffractometer	9877 independent reflections
Radiation source: fine-focus sealed tube	9086 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.045
Detector resolution: 14.6306 pixels mm^-1	θ_max = 25.4°, θ_min = 3.0°
ω scans	h = −17→19
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −35→35
T_min = 0.132, T_max = 0.329	l = −13→13
46733 measured reflections

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)] = 0.050	H-atom parameters constrained
wR(F²) = 0.108	w = 1/[σ²(F_o²) + (0.0328P)² + 29.5132P] where P = (F_o² + 2F_c²)/3
S = 1.14	(Δ/σ)_max = 0.002
9877 reflections	Δρ_max = 1.42 e Å⁻³
506 parameters	Δρ_min = −1.37 e Å⁻³
28 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00025 (5)

Crystal data top

[Nd(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]	V = 5405.2 (12) Å³
M_r = 1405.07	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 15.8250 (19) Å	µ = 3.76 mm⁻¹
b = 29.873 (4) Å	T = 153 K
c = 11.4345 (13) Å	0.2 × 0.15 × 0.1 mm
β = 90.689 (3)°

Data collection top

Rigaku Mercury diffractometer	9877 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	9086 reflections with I > 2σ(I)
T_min = 0.132, T_max = 0.329	R_int = 0.045
46733 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.050	28 restraints
wR(F²) = 0.108	H-atom parameters constrained
S = 1.14	w = 1/[σ²(F_o²) + (0.0328P)² + 29.5132P] where P = (F_o² + 2F_c²)/3
9877 reflections	Δρ_max = 1.42 e Å⁻³
506 parameters	Δρ_min = −1.37 e Å⁻³

Special details top

Experimental. Analysis: calculated for C₂₄H₇₂AgN₁₄NdO₁₀P₄S₄W: C 20.52, H 5.16, N 13.96%; found: C 20.50, H 5.14, N 14.01%. IR: ν, cm^-1, 478.5 m, 446.8 s (W-µ₂-S).

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	Occ. (<1)
W1	0.713803 (18)	0.271347 (9)	−0.02311 (2)	0.03257 (10)
Ag1	0.71456 (5)	0.23648 (2)	0.21805 (5)	0.05526 (19)
S1	0.71465 (15)	0.19967 (7)	0.02245 (17)	0.0526 (5)
S4	0.59999 (13)	0.28497 (8)	−0.12827 (18)	0.0544 (5)
S3	0.82772 (13)	0.28620 (9)	−0.12453 (18)	0.0562 (6)
S2	0.71231 (14)	0.31554 (6)	0.13071 (16)	0.0470 (5)
Nd1	0.23703 (2)	0.083214 (11)	0.83521 (3)	0.03310 (11)
P1	0.19278 (16)	−0.02955 (7)	0.69224 (19)	0.0531 (6)
P2	0.46340 (12)	0.09454 (7)	0.7383 (2)	0.0509 (5)
P3	0.01781 (11)	0.13540 (7)	0.82852 (17)	0.0392 (4)
P4	0.29591 (17)	0.14957 (8)	1.1063 (2)	0.0604 (6)
O1	0.2074 (3)	0.01663 (16)	0.7322 (5)	0.0508 (13)
O4	0.2729 (3)	0.12885 (17)	0.9929 (5)	0.0504 (13)
O2	0.3799 (3)	0.08064 (17)	0.7868 (5)	0.0521 (14)
O3	0.0979 (3)	0.10903 (16)	0.8307 (5)	0.0430 (12)
O5	0.1659 (3)	0.04041 (18)	1.0014 (5)	0.0517 (14)
O6	0.2985 (3)	0.02619 (19)	0.9801 (6)	0.0581 (15)
O7	0.2315 (5)	0.0018 (2)	1.1332 (7)	0.087 (2)
O8	0.2510 (4)	0.15975 (17)	0.7396 (5)	0.0538 (14)
O9	0.2232 (4)	0.10556 (19)	0.6219 (5)	0.0566 (14)
O10	0.2227 (6)	0.1734 (3)	0.5559 (7)	0.108 (3)
N1	0.2137 (6)	−0.0343 (3)	0.5527 (6)	0.074 (2)
N2	0.2566 (7)	−0.0668 (3)	0.7514 (9)	0.090 (3)
N3	0.1001 (6)	−0.0461 (3)	0.7286 (9)	0.101 (4)
N4	0.5361 (4)	0.0702 (3)	0.8074 (9)	0.102 (4)
N5	0.4625 (5)	0.0856 (4)	0.5961 (8)	0.090 (3)
N6	0.4873 (5)	0.1474 (3)	0.7370 (8)	0.083 (3)
N7	−0.0604 (4)	0.1016 (2)	0.8554 (6)	0.0487 (16)
N8	0.0200 (4)	0.1751 (2)	0.9266 (7)	0.0588 (18)
N9	0.0021 (4)	0.1589 (3)	0.7038 (6)	0.0602 (19)
N13	0.2327 (5)	0.0221 (2)	1.0398 (7)	0.0567 (19)
N14	0.2324 (5)	0.1468 (3)	0.6370 (7)	0.0596 (19)
C2	0.2211 (10)	−0.0793 (4)	0.4976 (12)	0.126 (6)
H2A	0.1672	−0.0873	0.4602	0.189*
H2B	0.2355	−0.1015	0.5577	0.189*
H2C	0.2655	−0.0786	0.4387	0.189*
C4	0.2563 (13)	−0.0823 (6)	0.8638 (15)	0.160 (7)
H4A	0.3027	−0.1037	0.8750	0.240*
H4B	0.2024	−0.0972	0.8790	0.240*
H4C	0.2637	−0.0572	0.9181	0.240*
C6	0.0334 (7)	−0.0152 (4)	0.7584 (12)	0.099 (4)
H6A	0.0540	0.0156	0.7507	0.149*
H6B	0.0161	−0.0205	0.8393	0.149*
H6C	−0.0150	−0.0198	0.7056	0.149*
C7	0.5338 (10)	0.0962 (7)	0.5243 (13)	0.171 (9)
H7A	0.5730	0.0708	0.5238	0.256*
H7B	0.5628	0.1226	0.5560	0.256*
H7C	0.5143	0.1024	0.4443	0.256*
C8	0.4124 (8)	0.0485 (5)	0.5485 (12)	0.114 (5)
H8A	0.4186	0.0474	0.4634	0.171*
H8B	0.3528	0.0530	0.5676	0.171*
H8C	0.4323	0.0203	0.5828	0.171*
C13	−0.0526 (6)	0.0683 (3)	0.9472 (9)	0.072 (3)
H13A	−0.1048	0.0507	0.9508	0.109*
H13B	−0.0426	0.0832	1.0224	0.109*
H13C	−0.0050	0.0484	0.9303	0.109*
C14	−0.1476 (5)	0.1113 (4)	0.8189 (9)	0.070 (3)
H14A	−0.1846	0.0868	0.8433	0.105*
H14B	−0.1504	0.1145	0.7337	0.105*
H14C	−0.1661	0.1393	0.8555	0.105*
C15	−0.0477 (6)	0.1853 (4)	1.0071 (9)	0.077 (3)
H15A	−0.0237	0.1921	1.0844	0.116*
H15B	−0.0855	0.1594	1.0129	0.116*
H15C	−0.0797	0.2112	0.9782	0.116*
C16	0.0874 (7)	0.2085 (3)	0.9244 (11)	0.084 (3)
H16A	0.0649	0.2368	0.8941	0.125*
H16B	0.1329	0.1980	0.8738	0.125*
H16C	0.1097	0.2130	1.0039	0.125*
C18	0.0148 (7)	0.1332 (5)	0.5970 (9)	0.097 (4)
H18A	0.0429	0.1049	0.6163	0.146*
H18B	0.0502	0.1504	0.5434	0.146*
H18C	−0.0400	0.1271	0.5595	0.146*
N10	0.2744 (10)	0.2005 (5)	1.1022 (12)	0.062 (3)*	0.50
N10'	0.3460 (9)	0.1984 (5)	1.0899 (12)	0.062 (3)*	0.50
N11	0.4021 (11)	0.1396 (6)	1.1244 (16)	0.076 (3)*	0.50
N11'	0.3634 (11)	0.1297 (6)	1.1919 (15)	0.076 (3)*	0.50
N12	0.2128 (11)	0.1727 (6)	1.1823 (16)	0.083 (4)*	0.50
N12'	0.2418 (11)	0.1248 (6)	1.2046 (16)	0.083 (4)*	0.50
C1	0.1813 (16)	0.0006 (8)	0.477 (2)	0.085 (5)*	0.50
H1A	0.1972	−0.0057	0.3962	0.128*	0.50
H1B	0.2051	0.0294	0.5014	0.128*	0.50
H1C	0.1196	0.0017	0.4825	0.128*	0.50
C1'	0.2149 (16)	0.0014 (8)	0.471 (2)	0.085 (5)*	0.50
H1'A	0.2288	−0.0102	0.3939	0.128*	0.50
H1'B	0.2575	0.0234	0.4959	0.128*	0.50
H1'C	0.1591	0.0157	0.4683	0.128*	0.50
C3	0.3374 (16)	−0.0770 (15)	0.692 (3)	0.152 (10)*	0.50
H3A	0.3352	−0.0658	0.6120	0.227*	0.50
H3B	0.3463	−0.1095	0.6915	0.227*	0.50
H3C	0.3842	−0.0626	0.7350	0.227*	0.50
C3'	0.3492 (13)	−0.0640 (15)	0.743 (4)	0.152 (10)*	0.50
H3'1	0.3718	−0.0465	0.8087	0.227*	0.50
H3'2	0.3641	−0.0494	0.6692	0.227*	0.50
H3'3	0.3732	−0.0942	0.7449	0.227*	0.50
C5	0.0938 (15)	−0.0971 (6)	0.727 (2)	0.085 (5)*	0.50
H5A	0.0536	−0.1069	0.7868	0.128*	0.50
H5B	0.1495	−0.1101	0.7446	0.128*	0.50
H5C	0.0742	−0.1072	0.6501	0.128*	0.50
C5'	0.0559 (14)	−0.0855 (7)	0.690 (2)	0.085 (5)*	0.50
H5'A	0.0069	−0.0767	0.6420	0.128*	0.50
H5'B	0.0369	−0.1025	0.7580	0.128*	0.50
H5'C	0.0939	−0.1041	0.6433	0.128*	0.50
C9	0.6243 (10)	0.0721 (8)	0.771 (2)	0.081 (5)*	0.50
H9A	0.6548	0.0459	0.8009	0.121*	0.50
H9B	0.6507	0.0994	0.8011	0.121*	0.50
H9C	0.6266	0.0722	0.6849	0.121*	0.50
C9'	0.6235 (11)	0.0906 (8)	0.819 (2)	0.081 (5)*	0.50
H9'A	0.6517	0.0786	0.8895	0.121*	0.50
H9'B	0.6185	0.1232	0.8264	0.121*	0.50
H9'C	0.6567	0.0832	0.7503	0.121*	0.50
C10	0.5204 (14)	0.0235 (5)	0.8409 (18)	0.067 (4)*	0.50
H10D	0.5711	0.0056	0.8270	0.101*	0.50
H10E	0.4732	0.0116	0.7941	0.101*	0.50
H10F	0.5062	0.0222	0.9240	0.101*	0.50
C10'	0.5260 (14)	0.0337 (6)	0.8911 (16)	0.067 (4)*	0.50
H10G	0.5812	0.0259	0.9252	0.101*	0.50
H10H	0.5021	0.0075	0.8510	0.101*	0.50
H10I	0.4879	0.0432	0.9533	0.101*	0.50
C11	0.4938 (17)	0.1755 (8)	0.8378 (19)	0.097 (4)*	0.50
H11A	0.5079	0.2060	0.8135	0.145*	0.50
H11B	0.5382	0.1640	0.8903	0.145*	0.50
H11C	0.4397	0.1756	0.8787	0.145*	0.50
C11'	0.5275 (16)	0.1607 (9)	0.8511 (18)	0.097 (4)*	0.50
H11D	0.5413	0.1927	0.8493	0.145*	0.50
H11E	0.5794	0.1434	0.8637	0.145*	0.50
H11F	0.4882	0.1549	0.9149	0.145*	0.50
C12	0.4574 (17)	0.1859 (7)	0.677 (2)	0.097 (4)*	0.50
H12A	0.4896	0.2121	0.7036	0.145*	0.50
H12B	0.3974	0.1903	0.6943	0.145*	0.50
H12C	0.4645	0.1819	0.5930	0.145*	0.50
C12'	0.4557 (17)	0.1707 (8)	0.6275 (18)	0.097 (4)*	0.50
H12D	0.3978	0.1812	0.6394	0.145*	0.50
H12E	0.4566	0.1497	0.5617	0.145*	0.50
H12F	0.4924	0.1963	0.6105	0.145*	0.50
C17	−0.0382 (14)	0.2048 (6)	0.7073 (19)	0.070 (4)*	0.50
H17A	−0.0809	0.2236	0.6684	0.105*	0.50
H17B	0.0176	0.2188	0.6995	0.105*	0.50
H17C	−0.0517	0.2019	0.7903	0.105*	0.50
C17'	−0.0328 (14)	0.2003 (6)	0.6628 (19)	0.070 (4)*	0.50
H17D	−0.0137	0.2060	0.5829	0.105*	0.50
H17E	−0.0138	0.2247	0.7140	0.105*	0.50
H17F	−0.0946	0.1986	0.6634	0.105*	0.50
C19	0.2618 (17)	0.2274 (8)	1.207 (2)	0.122 (7)*	0.60
H19A	0.2956	0.2548	1.2019	0.184*	0.60
H19B	0.2796	0.2102	1.2760	0.184*	0.60
H19C	0.2019	0.2352	1.2132	0.184*	0.60
C19'	0.4180 (19)	0.2067 (14)	1.171 (3)	0.122 (7)*	0.40
H19D	0.4455	0.2350	1.1511	0.184*	0.40
H19E	0.4588	0.1822	1.1654	0.184*	0.40
H19F	0.3972	0.2084	1.2517	0.184*	0.40
C20	0.2952 (13)	0.2279 (8)	1.0033 (18)	0.065 (4)*	0.50
H20A	0.2886	0.2595	1.0238	0.098*	0.50
H20B	0.2574	0.2205	0.9375	0.098*	0.50
H20C	0.3538	0.2222	0.9810	0.098*	0.50
C20'	0.3282 (13)	0.2282 (7)	0.9940 (18)	0.065 (4)*	0.50
H20D	0.3497	0.2581	1.0126	0.098*	0.50
H20E	0.2670	0.2297	0.9804	0.098*	0.50
H20F	0.3557	0.2170	0.9234	0.098*	0.50
C21	0.4426 (17)	0.0973 (7)	1.097 (2)	0.093 (5)*	0.50
H21A	0.5031	0.0992	1.1159	0.139*	0.50
H21B	0.4350	0.0907	1.0137	0.139*	0.50
H21C	0.4170	0.0733	1.1434	0.139*	0.50
C21'	0.4250 (16)	0.0987 (8)	1.147 (2)	0.093 (5)*	0.50
H21D	0.4814	0.1122	1.1518	0.139*	0.50
H21E	0.4113	0.0918	1.0650	0.139*	0.50
H21F	0.4241	0.0711	1.1930	0.139*	0.50
C22	0.4572 (18)	0.1700 (10)	1.187 (3)	0.129 (7)*	0.50
H22A	0.5144	0.1575	1.1902	0.193*	0.50
H22B	0.4363	0.1745	1.2660	0.193*	0.50
H22C	0.4584	0.1988	1.1456	0.193*	0.50
C22'	0.330 (2)	0.1107 (10)	1.303 (2)	0.129 (7)*	0.50
H22D	0.3799	0.1096	1.3543	0.193*	0.50
H22E	0.2792	0.1148	1.3495	0.193*	0.50
H22F	0.3356	0.1358	1.2479	0.193*	0.50
C24'	0.259 (2)	0.1105 (12)	1.320 (2)	0.139 (9)*	0.50
H24C	0.2054	0.1037	1.3590	0.208*	0.50
H24E	0.2885	0.1343	1.3629	0.208*	0.50
H24F	0.2941	0.0836	1.3184	0.208*	0.50
C24	0.214 (2)	0.2198 (9)	1.222 (3)	0.139 (9)*	0.50
H24A	0.2631	0.2351	1.1901	0.208*	0.50
H24B	0.2167	0.2207	1.3078	0.208*	0.50
H24D	0.1621	0.2349	1.1951	0.208*	0.50
C23'	0.1513 (14)	0.1181 (11)	1.192 (3)	0.111 (6)*	0.50
H23A	0.1249	0.1201	1.2688	0.167*	0.50
H23D	0.1404	0.0885	1.1580	0.167*	0.50
H23B	0.1276	0.1412	1.1403	0.167*	0.50
C23	0.1510 (17)	0.1360 (9)	1.203 (3)	0.111 (6)*	0.50
H23C	0.1696	0.1088	1.1626	0.167*	0.50
H23G	0.0953	0.1449	1.1726	0.167*	0.50
H23E	0.1474	0.1300	1.2869	0.167*	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
W1	0.03803 (17)	0.03657 (17)	0.02301 (15)	0.00284 (12)	−0.00287 (11)	−0.00256 (11)
Ag1	0.0819 (5)	0.0585 (4)	0.0254 (3)	0.0011 (3)	−0.0014 (3)	0.0026 (3)
S1	0.0818 (15)	0.0361 (10)	0.0399 (10)	0.0074 (10)	−0.0006 (10)	−0.0064 (8)
S4	0.0440 (11)	0.0787 (15)	0.0403 (11)	0.0168 (10)	−0.0075 (9)	−0.0048 (10)
S3	0.0440 (11)	0.0866 (17)	0.0382 (11)	−0.0086 (11)	0.0012 (9)	−0.0017 (10)
S2	0.0686 (13)	0.0385 (10)	0.0340 (10)	−0.0017 (9)	−0.0014 (9)	−0.0090 (8)
Nd1	0.02623 (19)	0.02392 (19)	0.0491 (2)	0.00031 (14)	−0.00170 (16)	0.00114 (16)
P1	0.0735 (15)	0.0375 (11)	0.0485 (12)	−0.0155 (10)	0.0076 (11)	−0.0094 (9)
P2	0.0305 (10)	0.0497 (12)	0.0726 (15)	−0.0009 (9)	0.0057 (10)	0.0010 (11)
P3	0.0286 (9)	0.0433 (11)	0.0455 (11)	0.0068 (8)	−0.0020 (8)	0.0080 (9)
P4	0.0746 (16)	0.0554 (14)	0.0508 (13)	−0.0077 (12)	−0.0208 (12)	0.0031 (11)
O1	0.050 (3)	0.030 (3)	0.073 (4)	−0.002 (2)	−0.004 (3)	−0.008 (3)
O4	0.053 (3)	0.040 (3)	0.058 (3)	−0.002 (2)	−0.010 (3)	−0.007 (3)
O2	0.028 (3)	0.045 (3)	0.083 (4)	−0.002 (2)	0.008 (3)	0.010 (3)
O3	0.029 (2)	0.041 (3)	0.058 (3)	0.007 (2)	−0.003 (2)	0.000 (2)
O5	0.039 (3)	0.050 (3)	0.066 (4)	−0.003 (2)	−0.008 (3)	0.018 (3)
O6	0.040 (3)	0.047 (3)	0.087 (4)	0.000 (3)	−0.011 (3)	0.015 (3)
O7	0.087 (5)	0.086 (5)	0.089 (5)	−0.012 (4)	−0.018 (4)	0.047 (4)
O8	0.061 (4)	0.035 (3)	0.065 (4)	−0.009 (3)	−0.004 (3)	0.006 (3)
O9	0.070 (4)	0.047 (3)	0.053 (3)	−0.006 (3)	0.005 (3)	0.001 (3)
O10	0.169 (9)	0.073 (5)	0.079 (5)	−0.023 (5)	−0.023 (5)	0.039 (4)
N1	0.108 (7)	0.065 (5)	0.048 (4)	−0.025 (5)	0.007 (4)	−0.015 (4)
N2	0.128 (8)	0.039 (4)	0.102 (7)	0.008 (5)	0.031 (6)	0.007 (5)
N3	0.099 (7)	0.096 (7)	0.110 (7)	−0.063 (6)	0.042 (6)	−0.058 (6)
N4	0.033 (4)	0.140 (9)	0.133 (8)	0.010 (5)	0.007 (4)	0.089 (7)
N5	0.062 (5)	0.139 (9)	0.070 (6)	−0.022 (6)	0.013 (4)	0.007 (6)
N6	0.062 (5)	0.073 (6)	0.115 (8)	−0.007 (4)	0.014 (5)	0.022 (5)
N7	0.027 (3)	0.063 (4)	0.056 (4)	0.001 (3)	−0.003 (3)	0.011 (3)
N8	0.048 (4)	0.056 (4)	0.073 (5)	0.007 (3)	0.009 (4)	−0.010 (4)
N9	0.052 (4)	0.074 (5)	0.054 (4)	0.004 (4)	−0.006 (3)	0.020 (4)
N13	0.060 (5)	0.044 (4)	0.066 (5)	−0.010 (3)	−0.021 (4)	0.014 (4)
N14	0.064 (5)	0.051 (5)	0.064 (5)	−0.008 (4)	0.003 (4)	0.016 (4)
C2	0.167 (14)	0.102 (10)	0.112 (11)	−0.047 (9)	0.064 (10)	−0.058 (8)
C4	0.22 (2)	0.128 (14)	0.132 (14)	0.072 (14)	−0.005 (14)	0.029 (11)
C6	0.061 (7)	0.112 (10)	0.125 (11)	−0.011 (7)	−0.019 (7)	0.019 (8)
C7	0.127 (13)	0.29 (3)	0.100 (12)	−0.083 (15)	0.032 (10)	−0.004 (13)
C8	0.082 (8)	0.151 (14)	0.109 (10)	−0.016 (9)	0.004 (7)	−0.039 (9)
C13	0.055 (5)	0.077 (7)	0.085 (7)	−0.001 (5)	−0.001 (5)	0.031 (6)
C14	0.032 (4)	0.100 (8)	0.078 (7)	−0.004 (5)	−0.002 (4)	0.006 (6)
C15	0.075 (7)	0.080 (7)	0.077 (7)	0.015 (6)	0.017 (5)	−0.017 (6)
C16	0.074 (7)	0.061 (6)	0.116 (9)	−0.002 (5)	0.007 (6)	−0.027 (6)
C18	0.076 (7)	0.149 (12)	0.065 (7)	−0.005 (8)	−0.016 (6)	0.002 (7)

Geometric parameters (Å, º) top

W1—S4	2.192 (2)	C16—H16C	0.9800
W1—S2	2.1997 (18)	C18—H18A	0.9800
W1—S3	2.200 (2)	C18—H18B	0.9800
W1—S1	2.204 (2)	C18—H18C	0.9800
W1—Ag1	2.9477 (7)	N10—C20	1.436 (16)
W1—Ag1ⁱ	2.9690 (7)	N10—C19	1.457 (17)
Ag1—S1	2.492 (2)	N10'—C20'	1.437 (16)
Ag1—S2	2.565 (2)	N10'—C19'	1.484 (18)
Ag1—S3ⁱⁱ	2.613 (2)	N11—C22	1.441 (17)
Ag1—S4ⁱⁱ	2.620 (2)	N11—C21	1.453 (17)
Ag1—W1ⁱⁱ	2.9690 (7)	N11'—C21'	1.444 (17)
S4—Ag1ⁱ	2.620 (2)	N12—C24	1.481 (18)
S3—Ag1ⁱ	2.613 (2)	N12—C23	1.490 (18)
Nd1—O4	2.325 (5)	N12'—C24'	1.410 (18)
Nd1—O3	2.333 (4)	N12'—C23'	1.451 (18)
Nd1—O2	2.335 (5)	C1—H1A	0.9800
Nd1—O1	2.356 (5)	C1—H1B	0.9800
Nd1—O9	2.535 (6)	C1—H1C	0.9800
Nd1—O8	2.545 (5)	C1'—H1'A	0.9800
Nd1—O6	2.560 (5)	C1'—H1'B	0.9800
Nd1—O5	2.562 (5)	C1'—H1'C	0.9800
Nd1—N14	2.957 (7)	C3—H3A	0.9800
Nd1—N13	2.968 (7)	C3—H3B	0.9800
P1—O1	1.471 (5)	C3—H3C	0.9800
P1—N3	1.608 (9)	C3'—H3'1	0.9800
P1—N1	1.639 (8)	C3'—H3'2	0.9800
P1—N2	1.642 (10)	C3'—H3'3	0.9800
P2—O2	1.498 (5)	C5—H5A	0.9800
P2—N4	1.568 (8)	C5—H5B	0.9800
P2—N6	1.623 (9)	C5—H5C	0.9800
P2—N5	1.647 (9)	C5'—H5'A	0.9800
P3—O3	1.492 (5)	C5'—H5'B	0.9800
P3—N9	1.607 (7)	C5'—H5'C	0.9800
P3—N7	1.630 (7)	C9—H9A	0.9800
P3—N8	1.632 (7)	C9—H9B	0.9800
P4—O4	1.479 (6)	C9—H9C	0.9800
P4—N11'	1.557 (17)	C9'—H9'A	0.9800
P4—N10	1.561 (15)	C9'—H9'B	0.9800
P4—N12'	1.602 (18)	C9'—H9'C	0.9800
P4—N10'	1.673 (15)	C10—H10D	0.9800
P4—N11	1.716 (17)	C10—H10E	0.9800
P4—N12	1.729 (18)	C10—H10F	0.9800
O5—N13	1.263 (8)	C10'—H10G	0.9800
O6—N13	1.258 (9)	C10'—H10H	0.9800
O7—N13	1.230 (9)	C10'—H10I	0.9800
O8—N14	1.266 (9)	C11—H11A	0.9800
O9—N14	1.252 (9)	C11—H11B	0.9800
O10—N14	1.230 (9)	C11—H11C	0.9800
N1—C1'	1.415 (16)	C11'—H11D	0.9800
N1—C1	1.444 (16)	C11'—H11E	0.9800
N1—C2	1.489 (13)	C11'—H11F	0.9800
N2—C4	1.367 (17)	C12—H12A	0.9800
N2—C3'	1.472 (18)	C12—H12B	0.9800
N2—C3	1.485 (18)	C12—H12C	0.9800
N3—C5'	1.435 (16)	C12'—H12D	0.9800
N3—C6	1.446 (14)	C12'—H12E	0.9800
N3—C5	1.528 (16)	C12'—H12F	0.9800
N4—C10'	1.461 (15)	C17—H17A	0.9800
N4—C9	1.464 (15)	C17—H17B	0.9800
N4—C10	1.468 (15)	C17—H17C	0.9800
N4—C9'	1.515 (15)	C17'—H17D	0.9800
N5—C7	1.438 (15)	C17'—H17E	0.9800
N5—C8	1.465 (15)	C17'—H17F	0.9800
N6—C12	1.416 (16)	C19—H19A	0.9800
N6—C11	1.428 (16)	C19—H19B	0.9800
N6—C11'	1.498 (16)	C19—H19C	0.9800
N6—C12'	1.512 (16)	C19'—H19D	0.9800
N7—C13	1.450 (11)	C19'—H19E	0.9800
N7—C14	1.466 (10)	C19'—H19F	0.9800
N8—C15	1.453 (11)	C20—H20A	0.9800
N8—C16	1.461 (12)	C20—H20B	0.9800
N9—C17'	1.431 (15)	C20—H20C	0.9800
N9—C18	1.459 (13)	C20'—H20D	0.9800
C2—H2A	0.9800	C20'—H20E	0.9800
C2—H2B	0.9800	C20'—H20F	0.9800
C2—H2C	0.9800	C21—H21A	0.9800
C4—H4A	0.9800	C21—H21B	0.9800
C4—H4B	0.9800	C21—H21C	0.9800
C4—H4C	0.9800	C21'—H21D	0.9800
C6—H6A	0.9800	C21'—H21E	0.9800
C6—H6B	0.9800	C21'—H21F	0.9800
C6—H6C	0.9800	C22—H22A	0.9800
C7—H7A	0.9800	C22—H22B	0.9800
C7—H7B	0.9800	C22—H22C	0.9800
C7—H7C	0.9800	C22'—H22D	0.9800
C8—H8A	0.9800	C22'—H22E	0.9800
C8—H8B	0.9800	C22'—H22F	0.9800
C8—H8C	0.9800	C24'—H24C	0.9800
C13—H13A	0.9800	C24'—H24E	0.9800
C13—H13B	0.9800	C24'—H24F	0.9800
C13—H13C	0.9800	C24—H24A	0.9800
C14—H14A	0.9800	C24—H24B	0.9800
C14—H14B	0.9800	C24—H24D	0.9800
C14—H14C	0.9800	C23'—H23A	0.9800
C15—H15A	0.9800	C23'—H23D	0.9800
C15—H15B	0.9800	C23'—H23B	0.9800
C15—H15C	0.9800	C23—H23C	0.9800
C16—H16A	0.9800	C23—H23G	0.9800
C16—H16B	0.9800	C23—H23E	0.9800

S4—W1—S2	108.09 (8)	N7—C13—H13A	109.5
S4—W1—S3	110.27 (8)	N7—C13—H13B	109.5
S2—W1—S3	108.49 (8)	H13A—C13—H13B	109.5
S4—W1—S1	108.23 (9)	N7—C13—H13C	109.5
S2—W1—S1	113.22 (7)	H13A—C13—H13C	109.5
S3—W1—S1	108.53 (9)	H13B—C13—H13C	109.5
S4—W1—Ag1	124.95 (6)	N7—C14—H14A	109.5
S2—W1—Ag1	57.59 (5)	N7—C14—H14B	109.5
S3—W1—Ag1	124.76 (6)	H14A—C14—H14B	109.5
S1—W1—Ag1	55.63 (5)	N7—C14—H14C	109.5
S4—W1—Ag1ⁱ	58.73 (6)	H14A—C14—H14C	109.5
S2—W1—Ag1ⁱ	147.62 (6)	H14B—C14—H14C	109.5
S3—W1—Ag1ⁱ	58.49 (6)	N8—C15—H15A	109.5
S1—W1—Ag1ⁱ	99.16 (5)	N8—C15—H15B	109.5
Ag1—W1—Ag1ⁱ	154.786 (12)	H15A—C15—H15B	109.5
S1—Ag1—S2	93.26 (7)	N8—C15—H15C	109.5
S1—Ag1—S3ⁱⁱ	119.74 (8)	H15A—C15—H15C	109.5
S2—Ag1—S3ⁱⁱ	120.87 (8)	H15B—C15—H15C	109.5
S1—Ag1—S4ⁱⁱ	120.13 (8)	N8—C16—H16A	109.5
S2—Ag1—S4ⁱⁱ	118.69 (8)	N8—C16—H16B	109.5
S3ⁱⁱ—Ag1—S4ⁱⁱ	87.06 (7)	H16A—C16—H16B	109.5
S1—Ag1—W1	46.87 (5)	N8—C16—H16C	109.5
S2—Ag1—W1	46.40 (4)	H16A—C16—H16C	109.5
S3ⁱⁱ—Ag1—W1	136.97 (5)	H16B—C16—H16C	109.5
S4ⁱⁱ—Ag1—W1	135.97 (5)	N9—C18—H18A	109.5
S1—Ag1—W1ⁱⁱ	149.31 (5)	N9—C18—H18B	109.5
S2—Ag1—W1ⁱⁱ	117.42 (5)	H18A—C18—H18B	109.5
S3ⁱⁱ—Ag1—W1ⁱⁱ	45.88 (5)	N9—C18—H18C	109.5
S4ⁱⁱ—Ag1—W1ⁱⁱ	45.65 (4)	H18A—C18—H18C	109.5
W1—Ag1—W1ⁱⁱ	163.81 (3)	H18B—C18—H18C	109.5
W1—S1—Ag1	77.50 (6)	C20—N10—C19	111.7 (18)
W1—S4—Ag1ⁱ	75.63 (6)	C20—N10—P4	121.7 (14)
W1—S3—Ag1ⁱ	75.63 (6)	C19—N10—P4	123.0 (15)
W1—S2—Ag1	76.02 (6)	C20'—N10'—C19'	121 (2)
O4—Nd1—O3	92.58 (18)	C20'—N10'—P4	122.4 (13)
O4—Nd1—O2	88.6 (2)	C19'—N10'—P4	115.9 (18)
O3—Nd1—O2	157.18 (18)	C22—N11—C21	113 (2)
O4—Nd1—O1	158.12 (19)	C22—N11—P4	122.4 (17)
O3—Nd1—O1	94.92 (18)	C21—N11—P4	123.9 (16)
O2—Nd1—O1	92.36 (19)	C21'—N11'—P4	118.7 (16)
O4—Nd1—O9	127.51 (19)	C24—N12—C23	131 (2)
O3—Nd1—O9	79.69 (19)	C24—N12—P4	122.0 (18)
O2—Nd1—O9	81.6 (2)	C23—N12—P4	106.9 (17)
O1—Nd1—O9	74.15 (19)	C24'—N12'—C23'	103 (2)
O4—Nd1—O8	77.58 (19)	C24'—N12'—P4	134.4 (19)
O3—Nd1—O8	77.30 (18)	C23'—N12'—P4	121.9 (19)
O2—Nd1—O8	80.71 (18)	N1—C1—H1A	109.5
O1—Nd1—O8	124.14 (19)	N1—C1—H1B	109.5
O9—Nd1—O8	49.99 (18)	H1A—C1—H1B	109.5
O4—Nd1—O6	78.53 (19)	N1—C1—H1C	109.5
O3—Nd1—O6	125.83 (19)	H1A—C1—H1C	109.5
O2—Nd1—O6	76.72 (19)	H1B—C1—H1C	109.5
O1—Nd1—O6	80.42 (19)	N1—C1'—H1'A	109.5
O9—Nd1—O6	145.6 (2)	N1—C1'—H1'B	109.5
O8—Nd1—O6	147.32 (18)	H1'A—C1'—H1'B	109.5
O4—Nd1—O5	79.80 (19)	N1—C1'—H1'C	109.5
O3—Nd1—O5	76.02 (17)	H1'A—C1'—H1'C	109.5
O2—Nd1—O5	126.49 (18)	H1'B—C1'—H1'C	109.5
O1—Nd1—O5	82.12 (19)	N2—C3—H3A	109.5
O9—Nd1—O5	144.21 (18)	N2—C3—H3B	109.5
O8—Nd1—O5	143.91 (19)	H3A—C3—H3B	109.5
O6—Nd1—O5	49.82 (17)	N2—C3—H3C	109.5
O4—Nd1—N14	102.8 (2)	H3A—C3—H3C	109.5
O3—Nd1—N14	75.88 (19)	H3B—C3—H3C	109.5
O2—Nd1—N14	81.6 (2)	N2—C3'—H3'1	109.5
O1—Nd1—N14	99.0 (2)	N2—C3'—H3'2	109.5
O9—Nd1—N14	24.87 (19)	H3'1—C3'—H3'2	109.5
O8—Nd1—N14	25.19 (19)	N2—C3'—H3'3	109.5
O6—Nd1—N14	158.3 (2)	H3'1—C3'—H3'3	109.5
O5—Nd1—N14	151.87 (19)	H3'2—C3'—H3'3	109.5
O4—Nd1—N13	75.94 (19)	N3—C5—H5A	109.5
O3—Nd1—N13	100.9 (2)	N3—C5—H5B	109.5
O2—Nd1—N13	101.4 (2)	H5A—C5—H5B	109.5
O1—Nd1—N13	82.5 (2)	N3—C5—H5C	109.5
O9—Nd1—N13	156.55 (19)	H5A—C5—H5C	109.5
O8—Nd1—N13	153.4 (2)	H5B—C5—H5C	109.5
O6—Nd1—N13	24.93 (18)	N3—C5'—H5'A	109.5
O5—Nd1—N13	25.05 (18)	N3—C5'—H5'B	109.5
N14—Nd1—N13	176.6 (2)	H5'A—C5'—H5'B	109.5
O1—P1—N3	110.4 (4)	N3—C5'—H5'C	109.5
O1—P1—N1	110.5 (4)	H5'A—C5'—H5'C	109.5
N3—P1—N1	114.9 (5)	H5'B—C5'—H5'C	109.5
O1—P1—N2	114.4 (4)	N4—C9—H9A	109.5
N3—P1—N2	104.1 (6)	N4—C9—H9B	109.5
N1—P1—N2	102.2 (5)	H9A—C9—H9B	109.5
O2—P2—N4	109.3 (4)	N4—C9—H9C	109.5
O2—P2—N6	118.6 (4)	H9A—C9—H9C	109.5
N4—P2—N6	106.6 (5)	H9B—C9—H9C	109.5
O2—P2—N5	108.9 (4)	N4—C9'—H9'A	109.5
N4—P2—N5	114.8 (6)	N4—C9'—H9'B	109.5
N6—P2—N5	98.5 (5)	H9'A—C9'—H9'B	109.5
O3—P3—N9	111.6 (3)	N4—C9'—H9'C	109.5
O3—P3—N7	108.4 (3)	H9'A—C9'—H9'C	109.5
N9—P3—N7	109.2 (4)	H9'B—C9'—H9'C	109.5
O3—P3—N8	111.1 (3)	N4—C10—H10D	109.5
N9—P3—N8	107.1 (4)	N4—C10—H10E	109.5
N7—P3—N8	109.3 (4)	H10D—C10—H10E	109.5
O4—P4—N11'	123.5 (7)	N4—C10—H10F	109.5
O4—P4—N10	109.3 (6)	H10D—C10—H10F	109.5
N11'—P4—N10	122.5 (8)	H10E—C10—H10F	109.5
O4—P4—N12'	107.1 (7)	N4—C10'—H10G	109.5
N11'—P4—N12'	75.6 (9)	N4—C10'—H10H	109.5
N10—P4—N12'	110.7 (9)	H10G—C10'—H10H	109.5
O4—P4—N10'	112.3 (6)	N4—C10'—H10I	109.5
N11'—P4—N10'	94.6 (8)	H10G—C10'—H10I	109.5
N12'—P4—N10'	137.7 (8)	H10H—C10'—H10I	109.5
O4—P4—N11	105.3 (6)	N6—C11—H11A	109.5
N10—P4—N11	112.7 (8)	N6—C11—H11B	109.5
N12'—P4—N11	111.5 (9)	H11A—C11—H11B	109.5
N10'—P4—N11	72.6 (8)	N6—C11—H11C	109.5
O4—P4—N12	115.3 (6)	H11A—C11—H11C	109.5
N11'—P4—N12	110.9 (9)	H11B—C11—H11C	109.5
N10—P4—N12	57.2 (8)	N6—C11'—H11D	109.5
N12'—P4—N12	54.2 (8)	N6—C11'—H11E	109.5
N10'—P4—N12	94.1 (8)	H11D—C11'—H11E	109.5
N11—P4—N12	139.3 (8)	N6—C11'—H11F	109.5
P1—O1—Nd1	167.7 (4)	H11D—C11'—H11F	109.5
P4—O4—Nd1	168.7 (4)	H11E—C11'—H11F	109.5
P2—O2—Nd1	160.0 (3)	N6—C12—H12A	109.5
P3—O3—Nd1	167.4 (3)	N6—C12—H12B	109.5
N13—O5—Nd1	95.8 (4)	H12A—C12—H12B	109.5
N13—O6—Nd1	96.0 (4)	N6—C12—H12C	109.5
N14—O8—Nd1	95.9 (4)	H12A—C12—H12C	109.5
N14—O9—Nd1	96.8 (5)	H12B—C12—H12C	109.5
C1'—N1—C2	113.6 (14)	N6—C12'—H12D	109.5
C1—N1—C2	115.3 (14)	N6—C12'—H12E	109.5
C1'—N1—P1	125.3 (13)	H12D—C12'—H12E	109.5
C1—N1—P1	116.5 (13)	N6—C12'—H12F	109.5
C2—N1—P1	120.5 (8)	H12D—C12'—H12F	109.5
C4—N2—C3'	96 (2)	H12E—C12'—H12F	109.5
C4—N2—C3	112 (2)	H17A—C17—H17B	109.5
C4—N2—P1	127.5 (10)	H17A—C17—H17C	109.5
C3'—N2—P1	122.8 (19)	H17B—C17—H17C	109.5
C3—N2—P1	118.8 (19)	N9—C17'—H17D	109.5
C5'—N3—C6	104.0 (13)	N9—C17'—H17E	109.5
C6—N3—C5	126.3 (12)	H17D—C17'—H17E	109.5
C5'—N3—P1	127.9 (12)	N9—C17'—H17F	109.5
C6—N3—P1	122.3 (8)	H17D—C17'—H17F	109.5
C5—N3—P1	111.4 (11)	H17E—C17'—H17F	109.5
C10'—N4—C9	109.3 (14)	N10—C19—H19A	109.5
C9—N4—C10	106.1 (14)	N10—C19—H19B	109.5
C10'—N4—C9'	110.4 (14)	H19A—C19—H19B	109.5
C10—N4—C9'	121.1 (14)	N10—C19—H19C	109.5
C10'—N4—P2	126.2 (10)	H19A—C19—H19C	109.5
C9—N4—P2	122.3 (11)	H19B—C19—H19C	109.5
C10—N4—P2	116.5 (10)	N10'—C19'—H19D	109.5
C9'—N4—P2	121.5 (11)	N10'—C19'—H19E	109.5
C7—N5—C8	112.3 (11)	H19D—C19'—H19E	109.5
C7—N5—P2	122.0 (9)	N10'—C19'—H19F	109.5
C8—N5—P2	119.1 (8)	H19D—C19'—H19F	109.5
C12—N6—C11	86.0 (16)	H19E—C19'—H19F	109.5
C12—N6—C11'	109.8 (16)	N10—C20—H20A	109.5
C11—N6—C12'	114.6 (16)	N10—C20—H20B	109.5
C11'—N6—C12'	136.9 (17)	H20A—C20—H20B	109.5
C12—N6—P2	135.9 (13)	N10—C20—H20C	109.5
C11—N6—P2	125.4 (13)	H20A—C20—H20C	109.5
C11'—N6—P2	110.4 (12)	H20B—C20—H20C	109.5
C12'—N6—P2	112.4 (12)	N10'—C20'—H20D	109.5
C13—N7—C14	114.5 (7)	N10'—C20'—H20E	109.5
C13—N7—P3	120.2 (5)	H20D—C20'—H20E	109.5
C14—N7—P3	122.5 (6)	N10'—C20'—H20F	109.5
C15—N8—C16	114.3 (8)	H20D—C20'—H20F	109.5
C15—N8—P3	125.3 (7)	H20E—C20'—H20F	109.5
C16—N8—P3	119.6 (6)	N11—C21—H21A	109.5
C17'—N9—C18	103.7 (11)	N11—C21—H21B	109.5
C17'—N9—P3	136.4 (11)	H21A—C21—H21B	109.5
C18—N9—P3	119.4 (7)	N11—C21—H21C	109.5
O7—N13—O6	122.7 (7)	H21A—C21—H21C	109.5
O7—N13—O5	119.6 (8)	H21B—C21—H21C	109.5
O6—N13—O5	117.6 (7)	N11'—C21'—H21D	109.5
O7—N13—Nd1	171.7 (6)	N11'—C21'—H21E	109.5
O6—N13—Nd1	59.0 (4)	H21D—C21'—H21E	109.5
O5—N13—Nd1	59.2 (4)	N11'—C21'—H21F	109.5
O10—N14—O9	121.2 (8)	H21D—C21'—H21F	109.5
O10—N14—O8	121.8 (8)	H21E—C21'—H21F	109.5
O9—N14—O8	117.0 (7)	N11—C22—H22A	109.5
O10—N14—Nd1	174.2 (7)	N11—C22—H22B	109.5
O9—N14—Nd1	58.4 (4)	H22A—C22—H22B	109.5
O8—N14—Nd1	58.9 (4)	N11—C22—H22C	109.5
N1—C2—H2A	109.5	H22A—C22—H22C	109.5
N1—C2—H2B	109.5	H22B—C22—H22C	109.5
H2A—C2—H2B	109.5	H22D—C22'—H22E	109.5
N1—C2—H2C	109.5	H22D—C22'—H22F	109.5
H2A—C2—H2C	109.5	H22E—C22'—H22F	109.5
H2B—C2—H2C	109.5	N12'—C24'—H24C	109.5
N2—C4—H4A	109.5	N12'—C24'—H24E	109.5
N2—C4—H4B	109.5	H24C—C24'—H24E	109.5
H4A—C4—H4B	109.5	N12'—C24'—H24F	109.5
N2—C4—H4C	109.5	H24C—C24'—H24F	109.5
H4A—C4—H4C	109.5	H24E—C24'—H24F	109.5
H4B—C4—H4C	109.5	N12—C24—H24A	109.5
N3—C6—H6A	109.5	N12—C24—H24B	109.5
N3—C6—H6B	109.5	H24A—C24—H24B	109.5
H6A—C6—H6B	109.5	N12—C24—H24D	109.5
N3—C6—H6C	109.5	H24A—C24—H24D	109.5
H6A—C6—H6C	109.5	H24B—C24—H24D	109.5
H6B—C6—H6C	109.5	N12'—C23'—H23A	109.5
N5—C7—H7A	109.5	N12'—C23'—H23D	109.5
N5—C7—H7B	109.5	H23A—C23'—H23D	109.5
H7A—C7—H7B	109.5	N12'—C23'—H23B	109.5
N5—C7—H7C	109.5	H23A—C23'—H23B	109.5
H7A—C7—H7C	109.5	H23D—C23'—H23B	109.5
H7B—C7—H7C	109.5	N12—C23—H23C	109.5
N5—C8—H8A	109.5	N12—C23—H23G	109.5
N5—C8—H8B	109.5	H23C—C23—H23G	109.5
H8A—C8—H8B	109.5	N12—C23—H23E	109.5
N5—C8—H8C	109.5	H23C—C23—H23E	109.5
H8A—C8—H8C	109.5	H23G—C23—H23E	109.5
H8B—C8—H8C	109.5

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x, −y+1/2, z+1/2.

Experimental details

Crystal data
Chemical formula	[Nd(NO₃)₂(C₆H₁₈N₃OP)₄][AgWS₄]
M_r	1405.07
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	153
a, b, c (Å)	15.8250 (19), 29.873 (4), 11.4345 (13)
β (°)	90.689 (3)
V (Å³)	5405.2 (12)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	3.76
Crystal size (mm)	0.2 × 0.15 × 0.1

Data collection
Diffractometer	Rigaku Mercury diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.132, 0.329
No. of measured, independent and observed [I > 2σ(I)] reflections	46733, 9877, 9086
R_int	0.045
(sin θ/λ)_max (Å⁻¹)	0.602

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.050, 0.108, 1.14
No. of reflections	9877
No. of parameters	506
No. of restraints	28
H-atom treatment	H-atom parameters constrained
	w = 1/[σ²(F_o²) + (0.0328P)² + 29.5132P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	1.42, −1.37

Computer programs: CrystalClear (Rigaku Corporation, 2000), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008).

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catena-Poly[[tetra­kis(hexa­methyl­phos­pho­ramide-κO)bis­(nitrato-κ2O,O′)neodymium(III)] [silver(I)-di-μ2-sulfido-tungsten(VI)-di-μ2-sulfido]]

Supporting information

Key indicators

checkCIF/PLATON results

catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ²O,O′)neodymium(III)] [silver(I)-di-μ₂-sulfido-tungsten(VI)-di-μ₂-sulfido]]