Poly[bis­[μ-1,3-bis­(diphenyl­phosphan­yl)propane-κ2P:P′]-di-μ-thio­cyanato-κ2S:N;κ2N:S-disilver(I)]

Cui, L.-N.; Jiang, Y.-H.; Zhou, L.-L.; Jin, Q.-H.; Zhang, C.-L.

doi:10.1107/S1600536811041250

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 11| November 2011| Page m1529

doi:10.1107/S1600536811041250

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Poly[bis[μ-1,3-bis(diphenylphosphanyl)propane-κ²P:P′]-di-μ-thiocyanato-κ²S:N;κ²N:S-disilver(I)]

Li-Na Cui,^a Yu-Han Jiang,^a Li-Li Zhou,^b Qiong-Hua Jin ^a ^* and Cun-Lin Zhang ^c

^aDepartment of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China, ^bResearch Center for Import–Export Chemicals Safety of the General Administration of Quality Supervision, Inspection and Quarantine of the People's Republic of China (AQSIQ), Beijing 100123, People's Republic of China, and ^cKey Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048, People's Republic of China
^*Correspondence e-mail: jinqh204@163.com

(Received 25 September 2011; accepted 6 October 2011; online 12 October 2011)

In the title coordination polymer, [Ag₂(NCS)₂(C₂₇H₂₆P₂)₂]_n, two centrosymmetrically related Ag⁺ cations are linked by two thiocyanate anions into binuclear eight-membered macrocycles. The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetrahedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis(diphenylphosphanyl)propane ligands, forming polymeric ribbons parallel to the a axis.

Related literature

For silver(I) complexes containing phosphane ligands and coordinated anions, see: Jin, Hu et al. (2010 ); Jin, Song et al. (2010 ); Effendy et al. (2007 ). For related structures, see: Cui, Hu et al. (2010 ); Cui, Jin et al. (2010 ); Mu et al. (2010 ); Affandi et al. (1997 ).

Experimental

Crystal data

[Ag₂(NCS)₂(C₂₇H₂₆P₂)₂]
M_r = 1156.74
Monoclinic, P 2₁ /n
a = 7.5478 (9) Å
b = 15.8275 (17) Å
c = 22.229 (3) Å
β = 99.727 (1)°
V = 2617.4 (5) Å³
Z = 2
Mo Kα radiation
μ = 0.99 mm⁻¹
T = 298 K
0.42 × 0.21 × 0.15 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007 ) T_min = 0.682, T_max = 0.866
12975 measured reflections
4605 independent reflections
3068 reflections with I > 2σ(I)
R_int = 0.042

Refinement

R[F² > 2σ(F²)] = 0.038
wR(F²) = 0.079
S = 1.03
4605 reflections
298 parameters
H-atom parameters constrained
Δρ_max = 0.44 e Å⁻³
Δρ_min = −0.50 e Å⁻³

Data collection: SMART (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus; 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 global, I. DOI: 10.1107/S1600536811041250/rz2645sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811041250/rz2645Isup2.hkl

checkCIF report

Comment top

Reports on the structural and kinetic features of silver(I) phosphane-oligodentate N-bases complexes are growing in number as the participation of these compounds in biological process and lunminescence materials are discovered (Jin, Hu et al., 2010; Jin, Song et al., 2010; Effendy et al., 2007). We have studied the catalytic function of some nitrogen heterocyclic ligands, and found that some of them play an important role in the formation of products of mixed P and N-ligands with special structures. For examples, [Ag₄(SCN)₄dppm₂] and [AgSCN(dppm)]₂ (dppm = bis(diphenylphosphanyl)methane) were obtained under the catalysis of quinoline and phenanthroline, respectively. [AgClO₄(PPh₃)₃] (Cui, Hu et al., 2010), [AgClO₄(PPh₃)₃(MeOH)] (Cui, Jin et al., 2010) and [Ag(PPh₃)(CH₃COO)]₂.H₂O.CH₃OH (Mu et al., 2010) were prepared under the catalysis of 2-aminopyrimidine. Here we report the crystal structure of a new complex {[Ag(dppp)SCN]₂}_n (dppp = bis(diphenylphosphanyl)propane) prepared under the catalysis of phenanthroline (phen).

The molecular structure of the title complex is depicted in Fig. 1. The polymeric complex can be described as originating from the repetition of a building block consisting of two Ag⁺ cations, two thiocyanate ions and two bis(diphenylphosphanyl)propane ligands. The coordination modes of dppp and SCN^- anion in 1 are different from those observed in complex [Ag(dppp)₂]SCN.1.5py (py = pyridine) (2; Affandi et al., 1997). In 1, both dppp ligands and SCN^- anions adopt a bridging mode, while in complex 2 the dppp ligands act as chelate ligands and the SCN^- anions act as free anions. In 1, each Ag atom is coordinated by two P atoms from two bridging dppp ligands, one S atom and one N atom from two SCN^- anions. Each thiocyanate ion bridges two centrosymmetrically related Ag⁺ ions in µ₂-mode through the S and N atoms to form binuclear eight-membered macrocycles, the dppp ligand bridges two silver ions along the a axis through two P atoms to generate one-dimensional polymeric ribbons (Fig. 2). In 1, the AgP₂SN coordination geometries could be described as distorted tetrahedral. The P1—Ag—P2, P1—Ag—S1, N1—Ag—S1 and P2—Ag—N1 angles are 102.18 (4)°, 122.60 (4)°, 103.26 (10)° and 109.61 (12)°, respectively. The P1—Ag—P2 angle is smaller than those in complex 2 (108.8 (7) and 120.3 (7)°) The Ag—P distances (2.5316 (11) and 2.4499 (10) Å) are similar to the average Ag—P distance in complex 2 (mean value 2.52 (2)Å).

Related literature top

For silver(I) complexes containing phosphane ligands and coordinated anions, see: Jin, Hu et al. (2010); Jin, Song et al. (2010); Effendy et al. (2007). For related structures, see: Cui, Hu et al. (2010); Cui, Jin et al. (2010); Mu et al. (2010); Affandi et al. (1997).

Experimental top

The title complex has been prepared by adding phenanthroline (0.2 mmol, 0.0396 g) into a stirred mixture of of DMF (2 ml), CH₃CN (5 ml) and MeOH (5 ml) containing AgSCN (0.2 mmol, 0.0332 g) and bis(diphenylphosphanyl)propane (0.2 mmol, 0.0825 g). Stirring continued for 3 h. After slow evaporation of the filtrate at ambient temperature for several days, white strip shaped crystals suitable for X-ray diffraction were obtained. Analysis found: C 49.60%, H 4.28%, N 11.51%; calculated: C 49.56%, H 4.33%, N 11.57%.

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus (Bruker, 2007); 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 structure of the basic unit of the title complex, with displacement ellipsoids drawn at the 30% probability level. Hydrogen atoms are omitted for clarity. Unlabelled atoms are related to the labelled atoms by the symmetry operation 1-x, 1-y, 1-z.
	Fig. 2. A view of the polymeric ribbon of the title compound running parallel to the a axis. Hydrogen atoms are omitted for clarity.

Poly[bis[µ-1,3-bis(diphenylphosphanyl)propane-κ²P:P']- di-µ-thiocyanato-κ²S:N;κ²N:S-disilver(I)] top

Crystal data top

[Ag₂(NCS)₂(C₂₇H₂₆P₂)₂]	F(000) = 1176
M_r = 1156.74	D_x = 1.468 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3146 reflections
a = 7.5478 (9) Å	θ = 2.3–23.9°
b = 15.8275 (17) Å	µ = 0.99 mm⁻¹
c = 22.229 (3) Å	T = 298 K
β = 99.727 (1)°	Prism, white
V = 2617.4 (5) Å³	0.42 × 0.21 × 0.15 mm
Z = 2

Data collection top

Bruker SMART CCD area-detector diffractometer	4605 independent reflections
Radiation source: fine-focus sealed tube	3068 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.042
ϕ and ω scans	θ_max = 25.0°, θ_min = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −8→8
T_min = 0.682, T_max = 0.866	k = −18→18
12975 measured reflections	l = −26→23

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)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.079	H-atom parameters constrained
S = 1.03	w = 1/[σ²(F_o²) + (0.0218P)² + 2.1307P] where P = (F_o² + 2F_c²)/3
4605 reflections	(Δ/σ)_max = 0.002
298 parameters	Δρ_max = 0.44 e Å⁻³
0 restraints	Δρ_min = −0.50 e Å⁻³

Crystal data top

[Ag₂(NCS)₂(C₂₇H₂₆P₂)₂]	V = 2617.4 (5) Å³
M_r = 1156.74	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 7.5478 (9) Å	µ = 0.99 mm⁻¹
b = 15.8275 (17) Å	T = 298 K
c = 22.229 (3) Å	0.42 × 0.21 × 0.15 mm
β = 99.727 (1)°

Data collection top

Bruker SMART CCD area-detector diffractometer	4605 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2007)	3068 reflections with I > 2σ(I)
T_min = 0.682, T_max = 0.866	R_int = 0.042
12975 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.038	0 restraints
wR(F²) = 0.079	H-atom parameters constrained
S = 1.03	Δρ_max = 0.44 e Å⁻³
4605 reflections	Δρ_min = −0.50 e Å⁻³
298 parameters

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
Ag1	0.67725 (4)	0.369866 (19)	0.563731 (15)	0.04506 (12)
P1	0.84677 (14)	0.23813 (6)	0.56205 (5)	0.0330 (3)
P2	0.53770 (14)	0.35222 (6)	0.65884 (5)	0.0356 (3)
S1	0.82981 (18)	0.51569 (8)	0.57515 (8)	0.0920 (6)
N1	0.5431 (6)	0.6134 (3)	0.51878 (19)	0.0707 (13)
C1	0.6602 (7)	0.5719 (3)	0.5414 (2)	0.0519 (12)
C2	1.0481 (5)	0.2237 (2)	0.61989 (17)	0.0356 (9)
H2A	1.0149	0.2270	0.6601	0.043*
H2B	1.0970	0.1678	0.6154	0.043*
C3	0.1935 (5)	0.2899 (2)	0.61504 (18)	0.0400 (10)
H3A	0.2256	0.2877	0.5746	0.048*
H3B	0.1468	0.3458	0.6209	0.048*
C4	0.3605 (5)	0.2739 (2)	0.66287 (17)	0.0368 (10)
H4A	0.4067	0.2179	0.6568	0.044*
H4B	0.3276	0.2756	0.7032	0.044*
C5	0.9279 (5)	0.2047 (2)	0.49304 (17)	0.0350 (9)
C6	0.9994 (6)	0.2658 (3)	0.46022 (18)	0.0483 (12)
H6	0.9932	0.3223	0.4712	0.058*
C7	1.0802 (7)	0.2442 (3)	0.4110 (2)	0.0641 (14)
H7	1.1306	0.2859	0.3898	0.077*
C8	1.0861 (7)	0.1617 (3)	0.3936 (2)	0.0651 (14)
H8	1.1424	0.1471	0.3609	0.078*
C9	1.0091 (6)	0.1002 (3)	0.4243 (2)	0.0588 (13)
H9	1.0096	0.0442	0.4116	0.071*
C10	0.9309 (5)	0.1216 (3)	0.47387 (18)	0.0449 (11)
H10	0.8795	0.0798	0.4947	0.054*
C11	0.6995 (5)	0.1523 (2)	0.57727 (17)	0.0343 (10)
C12	0.5367 (6)	0.1429 (3)	0.5382 (2)	0.0523 (12)
H12	0.5077	0.1790	0.5050	0.063*
C13	0.4176 (6)	0.0806 (4)	0.5481 (2)	0.0721 (15)
H13	0.3098	0.0743	0.5213	0.087*
C14	0.4571 (7)	0.0281 (3)	0.5973 (3)	0.0702 (15)
H14	0.3768	−0.0142	0.6037	0.084*
C15	0.6145 (7)	0.0377 (3)	0.6370 (2)	0.0641 (14)
H15	0.6407	0.0026	0.6709	0.077*
C16	0.7344 (6)	0.0994 (3)	0.6269 (2)	0.0480 (11)
H16	0.8414	0.1055	0.6542	0.058*
C17	0.4373 (5)	0.4470 (2)	0.68533 (19)	0.0369 (10)
C18	0.3580 (6)	0.5036 (3)	0.6417 (2)	0.0508 (12)
H18	0.3670	0.4949	0.6009	0.061*
C19	0.2658 (7)	0.5725 (3)	0.6579 (3)	0.0698 (15)
H19	0.2119	0.6099	0.6280	0.084*
C20	0.2531 (7)	0.5864 (3)	0.7180 (3)	0.0699 (16)
H20	0.1897	0.6327	0.7290	0.084*
C21	0.3336 (7)	0.5319 (3)	0.7613 (2)	0.0666 (14)
H21	0.3265	0.5416	0.8021	0.080*
C22	0.4260 (6)	0.4621 (3)	0.7455 (2)	0.0532 (12)
H22	0.4806	0.4253	0.7756	0.064*
C23	0.7159 (5)	0.3225 (2)	0.72144 (18)	0.0376 (10)
C24	0.8650 (6)	0.3745 (3)	0.7347 (2)	0.0527 (12)
H24	0.8677	0.4252	0.7136	0.063*
C25	1.0084 (6)	0.3527 (3)	0.7782 (2)	0.0658 (15)
H25	1.1065	0.3889	0.7866	0.079*
C26	1.0090 (7)	0.2786 (4)	0.8094 (2)	0.0685 (15)
H26	1.1063	0.2645	0.8392	0.082*
C27	0.8650 (7)	0.2248 (3)	0.7963 (2)	0.0623 (14)
H27	0.8660	0.1735	0.8168	0.075*
C28	0.7187 (6)	0.2465 (3)	0.75300 (19)	0.0490 (11)
H28	0.6212	0.2099	0.7448	0.059*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ag1	0.0491 (2)	0.03714 (18)	0.0486 (2)	0.00698 (17)	0.00730 (15)	0.00473 (16)
P1	0.0307 (6)	0.0291 (6)	0.0388 (6)	0.0003 (4)	0.0047 (5)	0.0014 (4)
P2	0.0317 (6)	0.0380 (6)	0.0375 (6)	−0.0022 (5)	0.0072 (5)	−0.0028 (5)
S1	0.0498 (9)	0.0493 (8)	0.1629 (16)	−0.0138 (7)	−0.0224 (10)	0.0306 (9)
N1	0.067 (3)	0.062 (3)	0.072 (3)	−0.004 (2)	−0.021 (2)	0.019 (2)
C1	0.060 (3)	0.039 (3)	0.051 (3)	−0.018 (2)	−0.004 (3)	0.006 (2)
C2	0.033 (2)	0.036 (2)	0.038 (2)	−0.0019 (18)	0.0040 (19)	−0.0019 (18)
C3	0.035 (2)	0.037 (2)	0.046 (3)	−0.0038 (19)	0.000 (2)	−0.0005 (19)
C4	0.032 (2)	0.033 (2)	0.045 (3)	−0.0007 (18)	0.005 (2)	−0.0008 (19)
C5	0.032 (2)	0.035 (2)	0.037 (2)	−0.0003 (18)	0.0022 (19)	0.0000 (18)
C6	0.067 (3)	0.038 (3)	0.040 (3)	−0.009 (2)	0.009 (2)	0.001 (2)
C7	0.091 (4)	0.059 (3)	0.046 (3)	−0.025 (3)	0.025 (3)	−0.006 (2)
C8	0.078 (4)	0.077 (4)	0.046 (3)	−0.013 (3)	0.028 (3)	−0.016 (3)
C9	0.078 (4)	0.048 (3)	0.053 (3)	0.001 (3)	0.019 (3)	−0.017 (2)
C10	0.051 (3)	0.038 (3)	0.047 (3)	−0.007 (2)	0.012 (2)	−0.001 (2)
C11	0.031 (2)	0.033 (2)	0.041 (3)	−0.0021 (17)	0.011 (2)	−0.0036 (18)
C12	0.043 (3)	0.059 (3)	0.052 (3)	−0.009 (2)	−0.001 (2)	0.004 (2)
C13	0.039 (3)	0.096 (4)	0.078 (4)	−0.026 (3)	0.001 (3)	−0.014 (3)
C14	0.059 (4)	0.067 (4)	0.091 (4)	−0.031 (3)	0.029 (3)	−0.007 (3)
C15	0.064 (4)	0.048 (3)	0.082 (4)	−0.013 (3)	0.016 (3)	0.021 (3)
C16	0.039 (3)	0.048 (3)	0.056 (3)	−0.006 (2)	0.006 (2)	0.012 (2)
C17	0.027 (2)	0.036 (2)	0.047 (3)	−0.0043 (18)	0.003 (2)	−0.003 (2)
C18	0.051 (3)	0.043 (3)	0.056 (3)	0.000 (2)	0.001 (2)	−0.010 (2)
C19	0.065 (4)	0.041 (3)	0.098 (4)	0.008 (3)	−0.002 (3)	0.000 (3)
C20	0.051 (3)	0.042 (3)	0.117 (5)	0.004 (2)	0.017 (3)	−0.028 (3)
C21	0.068 (4)	0.066 (3)	0.069 (4)	−0.002 (3)	0.023 (3)	−0.026 (3)
C22	0.057 (3)	0.054 (3)	0.049 (3)	0.003 (2)	0.009 (2)	−0.006 (2)
C23	0.033 (2)	0.040 (2)	0.040 (2)	0.0045 (19)	0.008 (2)	−0.0065 (19)
C24	0.044 (3)	0.053 (3)	0.058 (3)	0.001 (2)	−0.001 (2)	−0.012 (2)
C25	0.038 (3)	0.080 (4)	0.075 (4)	−0.001 (3)	−0.005 (3)	−0.029 (3)
C26	0.047 (3)	0.089 (4)	0.063 (4)	0.025 (3)	−0.009 (3)	−0.008 (3)
C27	0.057 (3)	0.069 (3)	0.060 (3)	0.021 (3)	0.007 (3)	0.011 (3)
C28	0.038 (3)	0.056 (3)	0.054 (3)	0.003 (2)	0.010 (2)	0.002 (2)

Geometric parameters (Å, º) top

Ag1—N1ⁱ	2.274 (4)	C11—C16	1.374 (5)
Ag1—P1	2.4499 (10)	C11—C12	1.388 (5)
Ag1—P2	2.5316 (11)	C12—C13	1.377 (6)
Ag1—S1	2.5726 (13)	C12—H12	0.9300
P1—C11	1.823 (4)	C13—C14	1.365 (7)
P1—C5	1.823 (4)	C13—H13	0.9300
P1—C2	1.832 (4)	C14—C15	1.363 (6)
P2—C17	1.823 (4)	C14—H14	0.9300
P2—C23	1.826 (4)	C15—C16	1.376 (5)
P2—C4	1.837 (4)	C15—H15	0.9300
S1—C1	1.633 (5)	C16—H16	0.9300
N1—C1	1.147 (5)	C17—C22	1.375 (5)
N1—Ag1ⁱ	2.274 (4)	C17—C18	1.380 (5)
C2—C3ⁱⁱ	1.535 (5)	C18—C19	1.374 (6)
C2—H2A	0.9700	C18—H18	0.9300
C2—H2B	0.9700	C19—C20	1.375 (7)
C3—C4	1.527 (5)	C19—H19	0.9300
C3—C2ⁱⁱⁱ	1.535 (5)	C20—C21	1.356 (7)
C3—H3A	0.9700	C20—H20	0.9300
C3—H3B	0.9700	C21—C22	1.384 (6)
C4—H4A	0.9700	C21—H21	0.9300
C4—H4B	0.9700	C22—H22	0.9300
C5—C6	1.376 (5)	C23—C24	1.386 (5)
C5—C10	1.384 (5)	C23—C28	1.391 (5)
C6—C7	1.382 (6)	C24—C25	1.369 (6)
C6—H6	0.9300	C24—H24	0.9300
C7—C8	1.365 (6)	C25—C26	1.362 (7)
C7—H7	0.9300	C25—H25	0.9300
C8—C9	1.373 (6)	C26—C27	1.372 (7)
C8—H8	0.9300	C26—H26	0.9300
C9—C10	1.378 (5)	C27—C28	1.381 (6)
C9—H9	0.9300	C27—H27	0.9300
C10—H10	0.9300	C28—H28	0.9300

N1ⁱ—Ag1—P1	113.55 (11)	C5—C10—H10	119.6
N1ⁱ—Ag1—P2	109.61 (12)	C16—C11—C12	117.8 (4)
P1—Ag1—P2	102.18 (4)	C16—C11—P1	124.3 (3)
N1ⁱ—Ag1—S1	103.26 (10)	C12—C11—P1	117.9 (3)
P1—Ag1—S1	122.60 (4)	C13—C12—C11	120.7 (4)
P2—Ag1—S1	105.01 (5)	C13—C12—H12	119.7
C11—P1—C5	103.99 (17)	C11—C12—H12	119.7
C11—P1—C2	103.66 (17)	C14—C13—C12	120.2 (5)
C5—P1—C2	101.39 (17)	C14—C13—H13	119.9
C11—P1—Ag1	107.16 (12)	C12—C13—H13	119.9
C5—P1—Ag1	120.68 (12)	C15—C14—C13	119.9 (5)
C2—P1—Ag1	117.99 (12)	C15—C14—H14	120.0
C17—P2—C23	105.00 (18)	C13—C14—H14	120.0
C17—P2—C4	101.19 (17)	C14—C15—C16	119.9 (5)
C23—P2—C4	103.73 (18)	C14—C15—H15	120.1
C17—P2—Ag1	115.67 (13)	C16—C15—H15	120.1
C23—P2—Ag1	107.94 (13)	C11—C16—C15	121.5 (4)
C4—P2—Ag1	121.62 (13)	C11—C16—H16	119.3
C1—S1—Ag1	98.04 (15)	C15—C16—H16	119.3
C1—N1—Ag1ⁱ	145.6 (4)	C22—C17—C18	118.7 (4)
N1—C1—S1	177.9 (4)	C22—C17—P2	123.7 (3)
C3ⁱⁱ—C2—P1	112.6 (3)	C18—C17—P2	117.5 (3)
C3ⁱⁱ—C2—H2A	109.1	C19—C18—C17	120.7 (4)
P1—C2—H2A	109.1	C19—C18—H18	119.7
C3ⁱⁱ—C2—H2B	109.1	C17—C18—H18	119.7
P1—C2—H2B	109.1	C18—C19—C20	120.2 (5)
H2A—C2—H2B	107.8	C18—C19—H19	119.9
C4—C3—C2ⁱⁱⁱ	110.7 (3)	C20—C19—H19	119.9
C4—C3—H3A	109.5	C21—C20—C19	119.5 (5)
C2ⁱⁱⁱ—C3—H3A	109.5	C21—C20—H20	120.3
C4—C3—H3B	109.5	C19—C20—H20	120.3
C2ⁱⁱⁱ—C3—H3B	109.5	C20—C21—C22	120.8 (5)
H3A—C3—H3B	108.1	C20—C21—H21	119.6
C3—C4—P2	112.1 (3)	C22—C21—H21	119.6
C3—C4—H4A	109.2	C17—C22—C21	120.2 (4)
P2—C4—H4A	109.2	C17—C22—H22	119.9
C3—C4—H4B	109.2	C21—C22—H22	119.9
P2—C4—H4B	109.2	C24—C23—C28	117.7 (4)
H4A—C4—H4B	107.9	C24—C23—P2	118.4 (3)
C6—C5—C10	118.5 (4)	C28—C23—P2	123.6 (3)
C6—C5—P1	117.4 (3)	C25—C24—C23	121.1 (5)
C10—C5—P1	124.1 (3)	C25—C24—H24	119.4
C5—C6—C7	120.7 (4)	C23—C24—H24	119.4
C5—C6—H6	119.6	C26—C25—C24	120.7 (5)
C7—C6—H6	119.7	C26—C25—H25	119.6
C8—C7—C6	120.1 (4)	C24—C25—H25	119.6
C8—C7—H7	119.9	C25—C26—C27	119.5 (5)
C6—C7—H7	119.9	C25—C26—H26	120.2
C7—C8—C9	120.0 (4)	C27—C26—H26	120.2
C7—C8—H8	120.0	C26—C27—C28	120.3 (5)
C9—C8—H8	120.0	C26—C27—H27	119.8
C8—C9—C10	119.8 (4)	C28—C27—H27	119.8
C8—C9—H9	120.1	C27—C28—C23	120.6 (4)
C10—C9—H9	120.1	C27—C28—H28	119.7
C9—C10—C5	120.8 (4)	C23—C28—H28	119.7
C9—C10—H10	119.6

N1ⁱ—Ag1—P1—C11	−72.24 (18)	C5—P1—C11—C16	113.2 (3)
P2—Ag1—P1—C11	45.70 (13)	C2—P1—C11—C16	7.6 (4)
S1—Ag1—P1—C11	162.61 (14)	Ag1—P1—C11—C16	−117.9 (3)
N1ⁱ—Ag1—P1—C5	46.28 (19)	C5—P1—C11—C12	−70.8 (3)
P2—Ag1—P1—C5	164.22 (15)	C2—P1—C11—C12	−176.4 (3)
S1—Ag1—P1—C5	−78.87 (15)	Ag1—P1—C11—C12	58.1 (3)
N1ⁱ—Ag1—P1—C2	171.41 (18)	C16—C11—C12—C13	−2.1 (6)
P2—Ag1—P1—C2	−70.65 (14)	P1—C11—C12—C13	−178.4 (4)
S1—Ag1—P1—C2	46.26 (15)	C11—C12—C13—C14	1.1 (7)
N1ⁱ—Ag1—P2—C17	−71.60 (18)	C12—C13—C14—C15	0.5 (8)
P1—Ag1—P2—C17	167.68 (14)	C13—C14—C15—C16	−1.1 (8)
S1—Ag1—P2—C17	38.74 (15)	C12—C11—C16—C15	1.6 (6)
N1ⁱ—Ag1—P2—C23	171.17 (17)	P1—C11—C16—C15	177.6 (3)
P1—Ag1—P2—C23	50.46 (14)	C14—C15—C16—C11	0.0 (7)
S1—Ag1—P2—C23	−78.48 (14)	C23—P2—C17—C22	−32.1 (4)
N1ⁱ—Ag1—P2—C4	51.68 (18)	C4—P2—C17—C22	75.6 (4)
P1—Ag1—P2—C4	−69.03 (15)	Ag1—P2—C17—C22	−150.9 (3)
S1—Ag1—P2—C4	162.02 (15)	C23—P2—C17—C18	152.4 (3)
N1ⁱ—Ag1—S1—C1	24.7 (2)	C4—P2—C17—C18	−99.9 (3)
P1—Ag1—S1—C1	154.31 (17)	Ag1—P2—C17—C18	33.6 (4)
P2—Ag1—S1—C1	−90.17 (18)	C22—C17—C18—C19	−1.5 (6)
C11—P1—C2—C3ⁱⁱ	179.5 (3)	P2—C17—C18—C19	174.2 (3)
C5—P1—C2—C3ⁱⁱ	71.8 (3)	C17—C18—C19—C20	0.6 (7)
Ag1—P1—C2—C3ⁱⁱ	−62.3 (3)	C18—C19—C20—C21	0.6 (8)
C2ⁱⁱⁱ—C3—C4—P2	−179.7 (3)	C19—C20—C21—C22	−0.9 (8)
C17—P2—C4—C3	69.1 (3)	C18—C17—C22—C21	1.2 (6)
C23—P2—C4—C3	177.8 (3)	P2—C17—C22—C21	−174.2 (3)
Ag1—P2—C4—C3	−60.7 (3)	C20—C21—C22—C17	0.0 (7)
C11—P1—C5—C6	161.6 (3)	C17—P2—C23—C24	−68.3 (3)
C2—P1—C5—C6	−91.1 (3)	C4—P2—C23—C24	−174.1 (3)
Ag1—P1—C5—C6	41.5 (4)	Ag1—P2—C23—C24	55.6 (3)
C11—P1—C5—C10	−22.2 (4)	C17—P2—C23—C28	118.0 (3)
C2—P1—C5—C10	85.2 (4)	C4—P2—C23—C28	12.2 (4)
Ag1—P1—C5—C10	−142.3 (3)	Ag1—P2—C23—C28	−118.1 (3)
C10—C5—C6—C7	−3.1 (6)	C28—C23—C24—C25	−1.3 (6)
P1—C5—C6—C7	173.3 (4)	P2—C23—C24—C25	−175.4 (3)
C5—C6—C7—C8	1.5 (7)	C23—C24—C25—C26	0.6 (7)
C6—C7—C8—C9	1.1 (8)	C24—C25—C26—C27	0.8 (7)
C7—C8—C9—C10	−2.1 (8)	C25—C26—C27—C28	−1.5 (7)
C8—C9—C10—C5	0.4 (7)	C26—C27—C28—C23	0.8 (7)
C6—C5—C10—C9	2.2 (6)	C24—C23—C28—C27	0.6 (6)
P1—C5—C10—C9	−174.1 (3)	P2—C23—C28—C27	174.4 (3)

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

Experimental details

Crystal data
Chemical formula	[Ag₂(NCS)₂(C₂₇H₂₆P₂)₂]
M_r	1156.74
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	298
a, b, c (Å)	7.5478 (9), 15.8275 (17), 22.229 (3)
β (°)	99.727 (1)
V (Å³)	2617.4 (5)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.99
Crystal size (mm)	0.42 × 0.21 × 0.15

Data collection
Diffractometer	Bruker SMART CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2007)
T_min, T_max	0.682, 0.866
No. of measured, independent and observed [I > 2σ(I)] reflections	12975, 4605, 3068
R_int	0.042
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.038, 0.079, 1.03
No. of reflections	4605
No. of parameters	298
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.44, −0.50

Computer programs: SMART (Bruker, 2007), SAINT-Plus (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (No. 21171119), the CAIQ Basic Research Program (No. 2010 J K022), the National Keystone Basic Research Program (973 Program under grant Nos. 2007CB310408 and 2006CB302901), the Funding Project for Academic Human Resources Development in Institutions of Higher Learning Under the Jurisdiction of the Beijing Municipality and the State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences.

References

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