Di-μ-thio­cyanato-bis­{[1,2-bis­(diiso­propyl­phosphan­yl)-1,2-dicarba-closo-dodeca­borane]silver(I)}

Yang, L.; Zhu, C.; Li, D.

doi:10.1107/S1600536810049263

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 1| January 2011| Page m2

https://doi.org/10.1107/S1600536810049263

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Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane]silver(I)}

Liguo Yang,^a Chengchen Zhu ^a and Dacheng Li ^a ^*

^aSchool of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China
^*Correspondence e-mail: lidacheng@lcu.edu.cn

(Received 1 November 2010; accepted 25 November 2010; online 4 December 2010)

The title compound, [Ag₂(NCS)₂(C₁₄H₃₈B₁₀P₂)₂], was synthesized by the reaction of 1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane with AgSCN. The diisopropylphosphanyl-closo-carborane ligand is coordinated in a bidentate manner to the Ag^I atom through the two P atoms. The coordination of the Ag^I atom is distorted tetrahedral, in which two vertices are formed by the P atoms of the chelating diphosphine ligand, and the other two are occupied by the S and N atoms of the two bridging thiocyanate anions, leading to a centrosymmetric binuclear complex. The distance between the two C atoms in the carborane skeleton is 1.851 (6) Å.

Related literature

For related structures, see: Zhang et al. (2006 ); Paavola et al. (2002 , 2002a ,b ). For the synthesis and structure of 1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane, see: Kivekäs et al. (1995 ).

Experimental

Crystal data

[Ag₂(NCS)₂(C₁₄H₃₈B₁₀P₂)₂]
M_r = 1084.87
Monoclinic, P 2₁ /n
a = 7.8075 (9) Å
b = 34.220 (3) Å
c = 10.6886 (12) Å
β = 110.074 (1)°
V = 2682.2 (5) Å³
Z = 2
Mo Kα radiation
μ = 0.95 mm⁻¹
T = 298 K
0.41 × 0.18 × 0.08 mm

Data collection

Bruker SMART 1000 CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.696, T_max = 0.928
13386 measured reflections
4714 independent reflections
3238 reflections with I > 2σ(I)
R_int = 0.050

Refinement

R[F² > 2σ(F²)] = 0.052
wR(F²) = 0.099
S = 1.06
4714 reflections
279 parameters
2 restraints
H-atom parameters constrained
Δρ_max = 0.82 e Å⁻³
Δρ_min = −0.92 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

Ag1—N1	2.251 (5)
Ag1—P1	2.4566 (14)
Ag1—P2	2.4981 (14)
Ag1—S1	2.5693 (17)

P1—Ag1—P2	90.97 (4)
N1—Ag1—S1	97.27 (14)

Data collection: SMART (Siemens, 1996 ); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810049263/gk2319sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810049263/gk2319Isup2.hkl

checkCIF report

Comment top

The synthesis and structure of 1,2-(PⁱPr₂)₂-1,2-C₂B₁₀H₁₀ was reported by Kivekäs et al. (1995). Since then, only a few complexes of this ligand with Pt(II) and Pd(II) have been described (Paavola et al., 2002, 2002a,b). Here we report the structure of this ligand combined with Ag and thiocyanate ion.

As shown in Fig. 1, the coordination of the Ag atom is distorted tetrahedral, formed by one S atom and one N atom of the two SCN anions and the P atoms of diisopropylphosphanyl-closo-carborane ligand (Table 1). The two P—Ag bond lengths are slightly shorter than the corresponding bond lengths in the complex [Ag₂Cl₂(C₂₆H₃₀B₁₀P₂)₂].2CH₂Cl₂ [2.5052 (14) Å; Zhang et al., 2006]). The P—Ag—P angle is slightly larger than the corresponding value of 89.80 Å for the complex [Ag₂Cl₂(C₂₆H₃₀B₁₀P₂)₂].2CH₂Cl₂ (Zhang et al., 2006). The five-memebered chelate ring fomed by the silver atom, two phosphorus atoms and two carbon atoms of the carborane skeleton is strongly flattened with a maximum deviation of 0.322 Å for C2. The torsion angle P1—C1—C2—P2 is -0.4 (5)°, viz. smaller than that of 12.1 (2)° in the free ligand (Kivekäs et al., 1995).

Related literature top

For related structures, see: Zhang et al. (2006); Paavola et al. (2002, 2002a,b). For the synthesis and structure of 1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane, see: Kivekäs et al. (1995).

Experimental top

The title compound was synthesizd by the reaction of 1 mmol AgSCN and 1 mmol 1,2-(PⁱPr₂)₂-1,2-C₂B₁₀H₁₀ in 10 ml dichloromethane under the protection of N₂, refluxed for 4 h, then a colorless solution formed, and crystals suitable for X-ray diffraction were obtained from a dichloromethane- n-hexane solution.(61.7%, m.p. 553–558 K). FTIR (KBr) v (cm^-l): 2989, 2966, 2930, 2872 (C—H); 2614, 2602, 2585, 2556 (B—H); 1071 (C—P).

Structure description top

For related structures, see: Zhang et al. (2006); Paavola et al. (2002, 2002a,b). For the synthesis and structure of 1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane, see: Kivekäs et al. (1995).

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (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 the title compound with atom labels and 40% probability displacement ellipsoids for non-H atoms. Symmetry code for atoms with the A label: -x + 1,-y,-z + 2. H atoms have been omitted for clarity.

Di-µ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba- closo-dodecaborane]silver(I)} top

Crystal data top

[Ag₂(NCS)₂(C₁₄H₃₈B₁₀P₂)₂]	F(000) = 1112
M_r = 1084.87	D_x = 1.343 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3831 reflections
a = 7.8075 (9) Å	θ = 2.4–25.8°
b = 34.220 (3) Å	µ = 0.95 mm⁻¹
c = 10.6886 (12) Å	T = 298 K
β = 110.074 (1)°	Block, yellow
V = 2682.2 (5) Å³	0.41 × 0.18 × 0.08 mm
Z = 2

Data collection top

Bruker SMART 1000 CCD diffractometer	4714 independent reflections
Radiation source: fine-focus sealed tube	3238 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.050
φ and ω scans	θ_max = 25.0°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −8→9
T_min = 0.696, T_max = 0.928	k = −36→40
13386 measured reflections	l = −12→10

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.099	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0185P)² + 6.4963P] where P = (F_o² + 2F_c²)/3
4714 reflections	(Δ/σ)_max = 0.001
279 parameters	Δρ_max = 0.82 e Å⁻³
2 restraints	Δρ_min = −0.92 e Å⁻³

Crystal data top

[Ag₂(NCS)₂(C₁₄H₃₈B₁₀P₂)₂]	V = 2682.2 (5) Å³
M_r = 1084.87	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 7.8075 (9) Å	µ = 0.95 mm⁻¹
b = 34.220 (3) Å	T = 298 K
c = 10.6886 (12) Å	0.41 × 0.18 × 0.08 mm
β = 110.074 (1)°

Data collection top

Bruker SMART 1000 CCD diffractometer	4714 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	3238 reflections with I > 2σ(I)
T_min = 0.696, T_max = 0.928	R_int = 0.050
13386 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.052	2 restraints
wR(F²) = 0.099	H-atom parameters constrained
S = 1.06	Δρ_max = 0.82 e Å⁻³
4714 reflections	Δρ_min = −0.92 e Å⁻³
279 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ag1	0.61123 (6)	0.074944 (11)	0.96399 (4)	0.04357 (15)
P1	0.77035 (19)	0.13609 (4)	1.05474 (12)	0.0319 (3)
P2	0.62319 (19)	0.09058 (4)	0.73885 (13)	0.0335 (3)
S1	0.2929 (2)	0.06561 (4)	0.9800 (2)	0.0638 (5)
C2	0.7012 (7)	0.14225 (13)	0.7460 (4)	0.0309 (12)
N1	0.7232 (7)	0.01564 (15)	1.0410 (5)	0.0634 (16)
C1	0.7792 (7)	0.16616 (13)	0.9114 (5)	0.0311 (12)
C3	0.4009 (7)	0.08761 (15)	0.6024 (5)	0.0443 (14)
H3A	0.4158	0.0956	0.5187	0.053*
C9	1.0151 (7)	0.13069 (15)	1.1608 (5)	0.0398 (13)
H9A	1.0841	0.1309	1.0995	0.048*
B1	0.5741 (8)	0.17712 (16)	0.7899 (5)	0.0327 (14)
H1	0.4439	0.1695	0.8022	0.039*
B2	0.9279 (8)	0.15162 (17)	0.8327 (6)	0.0342 (14)
H2	1.0248	0.1276	0.8725	0.041*
C4	0.7877 (8)	0.06395 (14)	0.6774 (5)	0.0423 (14)
H4A	0.9030	0.0783	0.7119	0.051*
B3	0.9813 (9)	0.19488 (18)	0.7612 (6)	0.0420 (16)
H3	1.1164	0.1997	0.7530	0.050*
B4	0.8264 (9)	0.16041 (18)	0.6591 (6)	0.0401 (16)
H4	0.8620	0.1431	0.5848	0.048*
B5	0.7755 (9)	0.21104 (18)	0.6369 (6)	0.0469 (18)
H5	0.7765	0.2270	0.5478	0.056*
C10	0.6616 (8)	0.16743 (16)	1.1476 (5)	0.0459 (15)
H10A	0.7314	0.1917	1.1744	0.055*
B6	0.6018 (9)	0.17690 (17)	0.6309 (6)	0.0371 (15)
H6	0.4882	0.1708	0.5381	0.044*
B7	0.7247 (9)	0.21373 (16)	0.8895 (6)	0.0379 (16)
H7	0.6898	0.2313	0.9636	0.045*
B8	0.9487 (9)	0.19743 (16)	0.9160 (6)	0.0370 (15)
H8	1.0633	0.2041	1.0077	0.044*
B9	0.6147 (10)	0.22145 (17)	0.7165 (6)	0.0440 (17)
H9	0.5083	0.2439	0.6792	0.053*
C11	0.4625 (8)	0.17704 (17)	1.0711 (6)	0.0542 (16)
H11A	0.3993	0.1537	1.0310	0.081*
H11B	0.4556	0.1958	1.0029	0.081*
H11C	0.4072	0.1877	1.1312	0.081*
C5	0.8260 (9)	0.02295 (16)	0.7408 (6)	0.0586 (18)
H5A	0.7171	0.0074	0.7089	0.088*
H5B	0.8637	0.0253	0.8359	0.088*
H5C	0.9209	0.0106	0.7169	0.088*
B10	0.8498 (9)	0.23347 (17)	0.7945 (6)	0.0426 (17)
H10	0.8978	0.2639	0.8068	0.051*
C12	0.6691 (9)	0.1440 (2)	1.2724 (5)	0.069 (2)
H12A	0.6220	0.1596	1.3277	0.104*
H12B	0.7932	0.1369	1.3213	0.104*
H12C	0.5968	0.1207	1.2460	0.104*
C6	0.2489 (8)	0.11169 (17)	0.6243 (6)	0.0529 (16)
H6A	0.1335	0.1040	0.5607	0.079*
H6B	0.2694	0.1389	0.6131	0.079*
H6C	0.2481	0.1073	0.7128	0.079*
C7	0.3449 (9)	0.04416 (17)	0.5935 (6)	0.0640 (19)
H7A	0.3260	0.0366	0.6742	0.096*
H7B	0.4397	0.0284	0.5813	0.096*
H7C	0.2340	0.0405	0.5193	0.096*
C8	0.7401 (9)	0.06209 (17)	0.5261 (6)	0.0611 (18)
H8A	0.8417	0.0517	0.5059	0.092*
H8B	0.7129	0.0879	0.4894	0.092*
H8C	0.6357	0.0455	0.4883	0.092*
C13	1.0984 (8)	0.16309 (17)	1.2634 (5)	0.0591 (18)
H13A	1.0457	0.1620	1.3324	0.089*
H13B	1.0736	0.1881	1.2202	0.089*
H13C	1.2278	0.1593	1.3018	0.089*
C15	0.7150 (8)	−0.01747 (17)	1.0327 (6)	0.0467 (15)
C14	1.0478 (8)	0.09062 (17)	1.2272 (6)	0.0565 (17)
H14A	1.1762	0.0867	1.2715	0.085*
H14B	1.0012	0.0707	1.1608	0.085*
H14C	0.9864	0.0892	1.2910	0.085*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ag1	0.0537 (3)	0.0293 (2)	0.0454 (2)	−0.0062 (2)	0.0139 (2)	0.0046 (2)
P1	0.0414 (9)	0.0266 (7)	0.0250 (7)	−0.0005 (6)	0.0079 (6)	0.0023 (5)
P2	0.0384 (9)	0.0254 (7)	0.0320 (6)	−0.0020 (6)	0.0060 (6)	−0.0047 (6)
S1	0.0635 (12)	0.0317 (9)	0.1096 (14)	0.0047 (7)	0.0469 (11)	0.0074 (8)
C2	0.040 (3)	0.023 (3)	0.025 (3)	0.001 (2)	0.005 (2)	0.000 (2)
N1	0.051 (4)	0.039 (3)	0.093 (4)	0.003 (3)	0.015 (3)	0.023 (3)
C1	0.035 (3)	0.021 (3)	0.032 (3)	−0.002 (2)	0.005 (2)	0.001 (2)
C3	0.044 (4)	0.039 (3)	0.042 (3)	−0.006 (3)	0.005 (3)	−0.009 (3)
C9	0.039 (3)	0.042 (3)	0.032 (3)	−0.001 (3)	0.004 (3)	0.007 (2)
B1	0.037 (4)	0.032 (3)	0.025 (3)	0.005 (3)	0.006 (3)	0.002 (2)
B2	0.038 (4)	0.029 (3)	0.034 (3)	0.000 (3)	0.011 (3)	−0.001 (3)
C4	0.050 (4)	0.030 (3)	0.045 (3)	−0.001 (3)	0.014 (3)	−0.010 (2)
B3	0.049 (4)	0.035 (4)	0.045 (4)	0.000 (3)	0.021 (3)	0.006 (3)
B4	0.047 (4)	0.043 (4)	0.030 (3)	0.002 (3)	0.012 (3)	0.005 (3)
B5	0.057 (5)	0.039 (4)	0.043 (4)	−0.002 (3)	0.015 (3)	0.017 (3)
C10	0.060 (4)	0.039 (3)	0.036 (3)	−0.002 (3)	0.014 (3)	−0.004 (3)
B6	0.046 (4)	0.035 (3)	0.027 (3)	0.005 (3)	0.008 (3)	0.010 (3)
B7	0.054 (4)	0.016 (3)	0.034 (3)	0.007 (3)	0.003 (3)	−0.001 (2)
B8	0.043 (4)	0.025 (3)	0.039 (4)	−0.010 (3)	0.009 (3)	0.001 (3)
B9	0.056 (5)	0.026 (3)	0.044 (4)	0.004 (3)	0.011 (3)	0.009 (3)
C11	0.064 (4)	0.058 (4)	0.047 (4)	0.007 (3)	0.028 (3)	−0.009 (3)
C5	0.064 (5)	0.038 (4)	0.069 (4)	0.010 (3)	0.017 (4)	−0.006 (3)
B10	0.056 (5)	0.022 (3)	0.050 (4)	−0.003 (3)	0.019 (4)	0.004 (3)
C12	0.088 (5)	0.088 (5)	0.034 (4)	0.016 (4)	0.025 (4)	0.006 (3)
C6	0.039 (4)	0.060 (4)	0.053 (4)	−0.006 (3)	0.006 (3)	−0.005 (3)
C7	0.056 (5)	0.058 (4)	0.066 (4)	−0.017 (3)	0.006 (3)	−0.021 (3)
C8	0.081 (5)	0.053 (4)	0.056 (4)	−0.006 (3)	0.032 (4)	−0.015 (3)
C13	0.057 (4)	0.058 (4)	0.045 (4)	−0.017 (3)	−0.005 (3)	0.001 (3)
C15	0.039 (4)	0.046 (4)	0.058 (4)	0.006 (3)	0.020 (3)	0.026 (3)
C14	0.059 (4)	0.055 (4)	0.044 (4)	0.006 (3)	0.004 (3)	0.017 (3)

Geometric parameters (Å, º) top

Ag1—N1	2.251 (5)	B4—H4	1.1000
Ag1—P1	2.4566 (14)	B5—B10	1.759 (9)
Ag1—P2	2.4981 (14)	B5—B6	1.775 (9)
Ag1—S1	2.5693 (17)	B5—B9	1.778 (10)
P1—C10	1.853 (6)	B5—H5	1.1000
P1—C1	1.866 (5)	C10—C11	1.524 (8)
P1—C9	1.867 (5)	C10—C12	1.541 (7)
P2—C3	1.847 (5)	C10—H10A	0.9800
P2—C2	1.863 (5)	B6—B9	1.763 (8)
P2—C4	1.868 (5)	B6—H6	1.1000
S1—C15ⁱ	1.652 (6)	B7—B8	1.763 (9)
C2—B4	1.682 (8)	B7—B10	1.767 (9)
C2—B6	1.693 (7)	B7—B9	1.771 (8)
C2—B1	1.717 (7)	B7—H7	1.1000
C2—B2	1.723 (8)	B8—B10	1.765 (8)
C2—C1	1.851 (6)	B8—H8	1.1000
N1—C15	1.137 (7)	B9—B10	1.784 (9)
C1—B7	1.678 (7)	B9—H9	1.1000
C1—B8	1.689 (7)	C11—H11A	0.9600
C1—B1	1.722 (7)	C11—H11B	0.9600
C1—B2	1.725 (8)	C11—H11C	0.9600
C3—C6	1.527 (7)	C5—H5A	0.9600
C3—C7	1.543 (7)	C5—H5B	0.9600
C3—H3A	0.9800	C5—H5C	0.9600
C9—C14	1.525 (7)	B10—H10	1.1000
C9—C13	1.538 (7)	C12—H12A	0.9600
C9—H9A	0.9800	C12—H12B	0.9600
B1—B6	1.786 (8)	C12—H12C	0.9600
B1—B9	1.786 (8)	C6—H6A	0.9600
B1—B7	1.796 (8)	C6—H6B	0.9600
B1—H1	1.1000	C6—H6C	0.9600
B2—B4	1.775 (8)	C7—H7A	0.9600
B2—B3	1.780 (8)	C7—H7B	0.9600
B2—B8	1.783 (8)	C7—H7C	0.9600
B2—H2	1.1000	C8—H8A	0.9600
C4—C8	1.531 (7)	C8—H8B	0.9600
C4—C5	1.542 (7)	C8—H8C	0.9600
C4—H4A	0.9800	C13—H13A	0.9600
B3—B8	1.761 (9)	C13—H13B	0.9600
B3—B4	1.772 (9)	C13—H13C	0.9600
B3—B10	1.782 (9)	C15—S1ⁱ	1.652 (6)
B3—B5	1.785 (9)	C14—H14A	0.9600
B3—H3	1.1000	C14—H14B	0.9600
B4—B6	1.767 (9)	C14—H14C	0.9600
B4—B5	1.775 (9)

N1—Ag1—P1	122.90 (14)	B9—B5—B3	108.0 (4)
N1—Ag1—P2	114.03 (15)	B10—B5—H5	121.0
P1—Ag1—P2	90.97 (4)	B4—B5—H5	122.2
N1—Ag1—S1	97.27 (14)	B6—B5—H5	121.9
P1—Ag1—S1	116.70 (5)	B9—B5—H5	122.0
P2—Ag1—S1	116.60 (6)	B3—B5—H5	121.8
C10—P1—C1	105.9 (2)	C11—C10—C12	107.8 (5)
C10—P1—C9	107.1 (3)	C11—C10—P1	114.1 (4)
C1—P1—C9	103.6 (2)	C12—C10—P1	105.9 (4)
C10—P1—Ag1	116.2 (2)	C11—C10—H10A	109.6
C1—P1—Ag1	107.57 (15)	C12—C10—H10A	109.6
C9—P1—Ag1	115.41 (17)	P1—C10—H10A	109.6
C3—P2—C2	106.9 (2)	C2—B6—B9	107.3 (4)
C3—P2—C4	105.6 (2)	C2—B6—B4	58.1 (3)
C2—P2—C4	102.9 (2)	B9—B6—B4	108.1 (5)
C3—P2—Ag1	114.4 (2)	C2—B6—B5	106.3 (4)
C2—P2—Ag1	106.46 (15)	B9—B6—B5	60.4 (4)
C4—P2—Ag1	119.45 (17)	B4—B6—B5	60.2 (4)
C15ⁱ—S1—Ag1	97.4 (2)	C2—B6—B1	59.1 (3)
B4—C2—B6	63.1 (3)	B9—B6—B1	60.4 (3)
B4—C2—B1	113.2 (4)	B4—B6—B1	106.0 (4)
B6—C2—B1	63.1 (3)	B5—B6—B1	107.7 (4)
B4—C2—B2	62.9 (3)	C2—B6—H6	123.3
B6—C2—B2	113.0 (4)	B9—B6—H6	121.1
B1—C2—B2	107.9 (4)	B4—B6—H6	122.6
B4—C2—C1	107.6 (4)	B5—B6—H6	121.8
B6—C2—C1	107.6 (3)	B1—B6—H6	122.4
B1—C2—C1	57.6 (3)	C1—B7—B8	58.7 (3)
B2—C2—C1	57.6 (3)	C1—B7—B10	106.7 (4)
B4—C2—P2	124.9 (4)	B8—B7—B10	60.0 (4)
B6—C2—P2	124.9 (3)	C1—B7—B9	107.4 (4)
B1—C2—P2	117.3 (4)	B8—B7—B9	108.3 (5)
B2—C2—P2	117.4 (3)	B10—B7—B9	60.5 (4)
C1—C2—P2	117.0 (3)	C1—B7—B1	59.3 (3)
C15—N1—Ag1	150.0 (5)	B8—B7—B1	106.6 (4)
B7—C1—B8	63.2 (3)	B10—B7—B1	107.7 (4)
B7—C1—B1	63.8 (3)	B9—B7—B1	60.1 (3)
B8—C1—B1	113.6 (4)	C1—B7—H7	122.9
B7—C1—B2	113.1 (4)	B8—B7—H7	122.3
B8—C1—B2	62.9 (3)	B10—B7—H7	121.8
B1—C1—B2	107.6 (4)	B9—B7—H7	121.2
B7—C1—C2	108.1 (3)	B1—B7—H7	122.3
B8—C1—C2	107.8 (4)	C1—B8—B7	58.1 (3)
B1—C1—C2	57.3 (3)	C1—B8—B3	107.8 (4)
B2—C1—C2	57.5 (3)	B7—B8—B3	108.7 (4)
B7—C1—P1	124.8 (4)	C1—B8—B10	106.3 (4)
B8—C1—P1	125.1 (3)	B7—B8—B10	60.1 (4)
B1—C1—P1	116.9 (3)	B3—B8—B10	60.7 (3)
B2—C1—P1	117.5 (3)	C1—B8—B2	59.5 (3)
C2—C1—P1	116.6 (3)	B7—B8—B2	106.4 (4)
C6—C3—C7	108.1 (5)	B3—B8—B2	60.3 (3)
C6—C3—P2	114.7 (4)	B10—B8—B2	107.7 (4)
C7—C3—P2	105.8 (4)	C1—B8—H8	123.1
C6—C3—H3A	109.4	B7—B8—H8	122.4
C7—C3—H3A	109.4	B3—B8—H8	120.8
P2—C3—H3A	109.4	B10—B8—H8	121.9
C14—C9—C13	110.7 (4)	B2—B8—H8	122.2
C14—C9—P1	110.1 (4)	B6—B9—B7	109.5 (4)
C13—C9—P1	117.1 (4)	B6—B9—B5	60.1 (4)
C14—C9—H9A	106.0	B7—B9—B5	107.5 (5)
C13—C9—H9A	106.0	B6—B9—B10	108.0 (5)
P1—C9—H9A	106.0	B7—B9—B10	59.6 (4)
C2—B1—C1	65.1 (3)	B5—B9—B10	59.2 (4)
C2—B1—B6	57.8 (3)	B6—B9—B1	60.4 (3)
C1—B1—B6	109.4 (4)	B7—B9—B1	60.7 (3)
C2—B1—B9	105.3 (4)	B5—B9—B1	107.5 (4)
C1—B1—B9	104.9 (4)	B10—B9—B1	107.5 (4)
B6—B1—B9	59.2 (3)	B6—B9—H9	120.9
C2—B1—B7	108.9 (4)	B7—B9—H9	121.2
C1—B1—B7	56.9 (3)	B5—B9—H9	122.4
B6—B1—B7	107.4 (4)	B10—B9—H9	122.4
B9—B1—B7	59.3 (3)	B1—B9—H9	121.7
C2—B1—H1	120.8	C10—C11—H11A	109.5
C1—B1—H1	121.1	C10—C11—H11B	109.5
B6—B1—H1	122.1	H11A—C11—H11B	109.5
B9—B1—H1	124.3	C10—C11—H11C	109.5
B7—B1—H1	122.6	H11A—C11—H11C	109.5
C2—B2—C1	65.0 (3)	H11B—C11—H11C	109.5
C2—B2—B4	57.4 (3)	C4—C5—H5A	109.5
C1—B2—B4	109.1 (4)	C4—C5—H5B	109.5
C2—B2—B3	105.8 (4)	H5A—C5—H5B	109.5
C1—B2—B3	105.4 (4)	C4—C5—H5C	109.5
B4—B2—B3	59.8 (3)	H5A—C5—H5C	109.5
C2—B2—B8	109.4 (4)	H5B—C5—H5C	109.5
C1—B2—B8	57.6 (3)	B8—B10—B5	108.5 (4)
B4—B2—B8	107.7 (4)	B8—B10—B7	59.9 (3)
B3—B2—B8	59.2 (3)	B5—B10—B7	108.6 (4)
C2—B2—H2	120.8	B8—B10—B3	59.5 (3)
C1—B2—H2	121.1	B5—B10—B3	60.5 (4)
B4—B2—H2	122.1	B7—B10—B3	107.5 (4)
B3—B2—H2	123.9	B8—B10—B9	107.6 (4)
B8—B2—H2	122.2	B5—B10—B9	60.3 (4)
C8—C4—C5	111.5 (4)	B7—B10—B9	59.8 (3)
C8—C4—P2	116.4 (4)	B3—B10—B9	107.9 (4)
C5—C4—P2	110.0 (4)	B8—B10—H10	121.9
C8—C4—H4A	106.1	B5—B10—H10	121.0
C5—C4—H4A	106.1	B7—B10—H10	121.8
P2—C4—H4A	106.1	B3—B10—H10	122.0
B8—B3—B4	108.9 (4)	B9—B10—H10	121.9
B8—B3—B2	60.5 (3)	C10—C12—H12A	109.5
B4—B3—B2	60.0 (3)	C10—C12—H12B	109.5
B8—B3—B10	59.8 (3)	H12A—C12—H12B	109.5
B4—B3—B10	107.3 (5)	C10—C12—H12C	109.5
B2—B3—B10	107.1 (4)	H12A—C12—H12C	109.5
B8—B3—B5	107.5 (5)	H12B—C12—H12C	109.5
B4—B3—B5	59.9 (4)	C3—C6—H6A	109.5
B2—B3—B5	107.1 (5)	C3—C6—H6B	109.5
B10—B3—B5	59.1 (4)	H6A—C6—H6B	109.5
B8—B3—H3	121.2	C3—C6—H6C	109.5
B4—B3—H3	121.4	H6A—C6—H6C	109.5
B2—B3—H3	122.1	H6B—C6—H6C	109.5
B10—B3—H3	122.6	C3—C7—H7A	109.5
B5—B3—H3	122.5	C3—C7—H7B	109.5
C2—B4—B6	58.8 (3)	H7A—C7—H7B	109.5
C2—B4—B3	108.0 (4)	C3—C7—H7C	109.5
B6—B4—B3	108.7 (5)	H7A—C7—H7C	109.5
C2—B4—B5	106.8 (4)	H7B—C7—H7C	109.5
B6—B4—B5	60.1 (4)	C4—C8—H8A	109.5
B3—B4—B5	60.4 (4)	C4—C8—H8B	109.5
C2—B4—B2	59.7 (3)	H8A—C8—H8B	109.5
B6—B4—B2	107.1 (4)	C4—C8—H8C	109.5
B3—B4—B2	60.2 (3)	H8A—C8—H8C	109.5
B5—B4—B2	107.7 (4)	H8B—C8—H8C	109.5
C2—B4—H4	122.6	C9—C13—H13A	109.5
B6—B4—H4	122.0	C9—C13—H13B	109.5
B3—B4—H4	121.0	H13A—C13—H13B	109.5
B5—B4—H4	121.9	C9—C13—H13C	109.5
B2—B4—H4	122.1	H13A—C13—H13C	109.5
B10—B5—B4	108.2 (4)	H13B—C13—H13C	109.5
B10—B5—B6	108.6 (5)	N1—C15—S1ⁱ	178.8 (6)
B4—B5—B6	59.7 (3)	C9—C14—H14A	109.5
B10—B5—B9	60.6 (4)	C9—C14—H14B	109.5
B4—B5—B9	107.1 (4)	H14A—C14—H14B	109.5
B6—B5—B9	59.5 (4)	C9—C14—H14C	109.5
B10—B5—B3	60.4 (4)	H14A—C14—H14C	109.5
B4—B5—B3	59.7 (3)	H14B—C14—H14C	109.5
B6—B5—B3	107.7 (4)

N1—Ag1—P1—C10	−111.6 (3)	Ag1—P2—C2—C1	8.3 (3)
P2—Ag1—P1—C10	128.6 (2)	P1—Ag1—N1—C15	−172.8 (9)
S1—Ag1—P1—C10	8.0 (2)	P2—Ag1—N1—C15	−64.7 (10)
N1—Ag1—P1—C1	130.0 (2)	S1—Ag1—N1—C15	58.7 (10)
P2—Ag1—P1—C1	10.24 (17)	P2—C2—C1—P1	−0.4 (5)
S1—Ag1—P1—C1	−110.41 (18)	C10—P1—C1—C2	−132.8 (3)
N1—Ag1—P1—C9	15.0 (3)	C9—P1—C1—C2	114.7 (3)
P2—Ag1—P1—C9	−104.8 (2)	Ag1—P1—C1—C2	−7.9 (4)
S1—Ag1—P1—C9	134.6 (2)	C2—P2—C3—C6	−64.1 (5)
N1—Ag1—P2—C3	104.8 (2)	C4—P2—C3—C6	−173.2 (4)
P1—Ag1—P2—C3	−128.15 (19)	Ag1—P2—C3—C6	53.4 (5)
S1—Ag1—P2—C3	−7.42 (19)	C2—P2—C3—C7	176.9 (4)
N1—Ag1—P2—C2	−137.4 (2)	C4—P2—C3—C7	67.8 (4)
P1—Ag1—P2—C2	−10.35 (17)	Ag1—P2—C3—C7	−65.6 (4)
S1—Ag1—P2—C2	110.38 (17)	C10—P1—C9—C14	103.2 (4)
N1—Ag1—P2—C4	−21.7 (3)	C1—P1—C9—C14	−145.2 (4)
P1—Ag1—P2—C4	105.3 (2)	Ag1—P1—C9—C14	−28.0 (4)
S1—Ag1—P2—C4	−133.9 (2)	C10—P1—C9—C13	−24.5 (5)
C3—P2—C2—B4	−88.9 (4)	C1—P1—C9—C13	87.1 (4)
C4—P2—C2—B4	22.0 (5)	Ag1—P1—C9—C13	−155.7 (4)
Ag1—P2—C2—B4	148.4 (4)	C3—P2—C4—C8	25.7 (5)
C3—P2—C2—B6	−9.6 (5)	C2—P2—C4—C8	−86.2 (4)
C4—P2—C2—B6	101.4 (4)	Ag1—P2—C4—C8	156.3 (3)
Ag1—P2—C2—B6	−132.2 (4)	C3—P2—C4—C5	−102.3 (4)
C3—P2—C2—B1	65.4 (4)	C2—P2—C4—C5	145.8 (4)
C4—P2—C2—B1	176.3 (3)	Ag1—P2—C4—C5	28.3 (4)
Ag1—P2—C2—B1	−57.3 (3)	C1—P1—C10—C11	66.3 (5)
C3—P2—C2—B2	−163.5 (4)	C9—P1—C10—C11	176.3 (4)
C4—P2—C2—B2	−52.6 (4)	Ag1—P1—C10—C11	−53.0 (4)
Ag1—P2—C2—B2	73.8 (4)	C1—P1—C10—C12	−175.3 (4)
C3—P2—C2—C1	130.9 (3)	C9—P1—C10—C12	−65.3 (4)
C4—P2—C2—C1	−118.1 (3)	Ag1—P1—C10—C12	65.4 (4)

Symmetry code: (i) −x+1, −y, −z+2.

Experimental details

Crystal data
Chemical formula	[Ag₂(NCS)₂(C₁₄H₃₈B₁₀P₂)₂]
M_r	1084.87
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	298
a, b, c (Å)	7.8075 (9), 34.220 (3), 10.6886 (12)
β (°)	110.074 (1)
V (Å³)	2682.2 (5)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.95
Crystal size (mm)	0.41 × 0.18 × 0.08

Data collection
Diffractometer	Bruker SMART 1000 CCD
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.696, 0.928
No. of measured, independent and observed [I > 2σ(I)] reflections	13386, 4714, 3238
R_int	0.050
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.052, 0.099, 1.06
No. of reflections	4714
No. of parameters	279
No. of restraints	2
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.82, −0.92

Computer programs: SMART (Siemens, 1996), SAINT (Siemens, 1996), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

Ag1—N1	2.251 (5)	Ag1—S1	2.5693 (17)
Ag1—P1	2.4566 (14)	C2—C1	1.851 (6)
Ag1—P2	2.4981 (14)

P1—Ag1—P2	90.97 (4)	N1—Ag1—S1	97.27 (14)

Acknowledgements

This work was supported by the National Natural Science Foundation of China (project No. 20971063), the Natural Science Foundation of Shandong Province (Y2007B01) and the Shandong Tai-Shan Scholar Research Fund.

References

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