metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 71| Part 4| April 2015| Pages m89-m90

Crystal structure of tris­­[μ2-bis­­(di­phenyl­phosphan­yl)methane-κ2P:P′]di-μ3-bromido-tris­­ilver(I) bromide–N,N′-phenyl­thio­urea (1/1)

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aDepartment of Chemistry, Youngstown State University, 1 University Plaza, 44555 Youngstown, OH, USA, and bDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand
*Correspondence e-mail: yupa.t@psu.ac.th

Edited by G. S. Nichol, University of Edinburgh, Scotland (Received 16 February 2015; accepted 13 March 2015; online 21 March 2015)

The title complex, [Ag3Br2(C25H22P2)3]Br·C7H8N2S, comprises a trinuclear [Ag3Br2(C25H22P2)3]+ unit, a Br anion and one N,N′-di­methyl­thio­urea mol­ecule (ptu). Three AgI ions are linked via two μ3-bridging Br atoms, leading to a distorted triangular bipyramid with an Ag⋯Ag separation range of 3.1046 (6)–3.3556 (6) Å. The triangular Ag3 arrangement is stabilized by six P atoms from three chelating bis­(di­phenyl­phosphan­yl)methane (dppm) ligands. The AgI ion presents a distorted tetra­hedral coordination geometry. In the crystal, the bromide anion is connected to the ptu mol­ecule through N—H⋯Br hydrogen bonds [graph-set motif R21(6)]. Each bromide/ptu aggregate links the complex ion via C—H⋯S and C—H⋯Br hydrogen bonds, leading to the formation of a three-dimensional network. Two phenyl rings from two dppm ligands were modelled as disordered over two sites.

1. Related literature

For studies of silver(I) complexes with diphosphane ligands, see: Matsumoto et al. (2001[Matsumoto, K., Tanaka, R., Shimomura, R., Matsumoto, C. & Nakao, Y. (2001). Inorg. Chim. Acta, 322, 125-129.]); Nicola et al. (2005[Nicola, C. D., Effendy, Fazaroh, F., Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2005). Inorg. Chim. Acta, 358, 720-734.], 2006[Nicola, C. D., Effendy, Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2006). Inorg. Chim. Acta, 359, 53-63.]). For their potential applications, see: Song et al. (2010[Song, L.-L., Jin, Q.-H., Cui, L.-N. & Zhang, C.-L. (2010). Inorg. Chim. Acta, 363, 2425-2429.]); Sun et al. (2011[Sun, D., Zhang, N., Huang, R.-B. & Zheng, L.-S. (2011). Inorg. Chem. Commun. 14, 1039-1042.]). For applications of the coordination chemistry of silver(I) complexes with phospho­rus- and sulfur-donor ligands, see: Isab et al. (2010[Isab, A. A., Nawaz, S., Saleem, M., Altaf, M., Monim-ul-Mehboob, M., Ahmad, S. & Evans, H. S. (2010). Polyhedron, 29, 1251-1256.]).

[Scheme 1]

2. Experimental

2.1. Crystal data

  • [Ag3Br2(C25H22P2)3]Br·C7H8N2S

  • Mr = 1868.65

  • Monoclinic, P 21 /n

  • a = 10.550 (2) Å

  • b = 28.329 (6) Å

  • c = 25.622 (6) Å

  • β = 95.859 (4)°

  • V = 7618 (3) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 2.54 mm−1

  • T = 100 K

  • 0.22 × 0.15 × 0.07 mm

2.2. Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.516, Tmax = 0.746

  • 54265 measured reflections

  • 22914 independent reflections

  • 16918 reflections with I > 2σ(I)

  • Rint = 0.045

2.3. Refinement

  • R[F2 > 2σ(F2)] = 0.041

  • wR(F2) = 0.097

  • S = 0.99

  • 22914 reflections

  • 911 parameters

  • 84 restraints

  • H-atom parameters constrained

  • Δρmax = 1.48 e Å−3

  • Δρmin = −0.67 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
N1—H1⋯Br3 0.88 2.46 3.328 (3) 167
N2—H2A⋯Br3 0.88 2.57 3.390 (3) 155
C6—H6⋯Br3i 0.95 2.93 3.855 (3) 166
C13—H13A⋯Br3i 0.99 2.80 3.705 (3) 152
C47—H47⋯S1ii 0.95 2.81 3.645 (9) 147
C78—H78⋯S1 0.95 2.70 3.259 (4) 118
Symmetry codes: (i) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015[Sheldrick, G. M. (2015). Acta Cryst. C71, 3-8.]) and SHELXLE (Hübschle et al., 2011[Hübschle, C. B., Sheldrick, G. M. & Dittrich, B. (2011). J. Appl. Cryst. 44, 1281-1284.]); molecular graphics: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


Comment top

The studies of silver(I) complexes with diphosphane has been receiving more attention (Matsumoto et al., 2001; Nicola et al., 2005; Nicola et al., 2006) because of their potential applications such as show inter­esting luminescence properties (Song et al., 2010; Sun et al., 2011). The coordination chemistry of silver(I) complexes with phospho­rus and sulfur donor ligands, on the other hand have been of increasing inter­est due to their potential applications such as anti­microbial activities (Isab et al., 2010). Herein, the title complex was prepared by reacting silver (I) bromide and dppm ligand, followed by the addition of ptu in aceto­nitrile solvent. An unexpexted complex [Ag3(C25H22P2)33-Br)2]+ unit was formed in the uncoordinated of ptu.

The title complex comprises of a trinuclear [Ag3(C25H22P2)33-Br)2]+ unit, Br anion and one N,N'-di­methyl­thio­urea molecule (ptu). The bromide anion forms a triple bridge from the both side of the Ag-3 plane leading to distorted triangular bipyramid with an Ag···Ag separation of 3.1046 (6)-3.3556 (6) Å. A triangular Ag3 arrangement stabilized by six P atoms from three chelating dppm ligands (Fig.1). The AgI ion presents a distorted tetra­hedral coordination geometry. In the crystal, The bromide anions is connected to ptu ligand with N—H···Br hydrogen bonds between the ptu NH2 and NHPh moieties and the bromide anion [graph-set motif R12(6)] (Fig.1 and Table 1). The dimers are in turn connected with complex ion via C—H···S and C—H···Br hydrogen bonds [C63(sp3)—H63A···S1, with H63A···S1 = 2.8858 (5) Å, C63(sp3)···S1 = 3.8147 (7) Å and C63(sp3)—H63A···S1 = 156.604 (4)°; C47(sp2)—H47···S1i, with H47···S1i = 2.8085 (4) Å, C47(sp2)···S1i = 3.6448 (6) Å and C47(sp2)—H47···S1i = 147.374 (7)°; C13(sp3)—H13A···Br3ii, with H13A···Br3ii = 2.8043 (5) Å, C13(sp3)···Br3ii = 3.7048 (7) Å and C13(sp3)—H13A···Br3ii = 151.555 (6)°; C6(sp2)—H6···Br3ii, with H6···Br3ii = 2.9249 (5) Å, C6(sp2)···Br3ii = 3.8550 (6) Å and C6(sp2)—H6···Br3ii = 166.483 (2)°; C73(sp2)—H73···Br3iii, with H73···Br3iii = 3.0296 (5) Å, C73(sp2)···Br3ii = 3.7706 (5) Å and C73(sp2)—H73···Br3iii = 135.934 (6)°, symmetry code: (i) 1-x,1-y, 1-z, (ii) 1/2+x, 1/2-y, 1/2+z, (iii) 1+x, y, z] leading to the formation of a three-dimensional network, Fig. 2. In complex, two phenyl rings from two dppm ligands are disordered over two sites with refined occupancies 0.516 (3):0.484 (3).

Experimental top

Bis(di­phenyl­phosphanyl)methane, dppm, (0.1 g, 0.26 mmol) was dissolved in 30 ml of aceto­nitrile at 343 K and then silver(I) bromide, AgBr, (0.05 g, 0.27 mmol) was added. The mixture was stirred for 4 hr and then N,N′-phenyl­thio­urea, ptu, (0.04 g, 0.26 mmol) was added and the new reaction mixture was heated under reflux for 6 hr during which the precipitate gradually disappeared. The resulting clear solution was filtered and left to evaporate at room temperature. The crystalline complex, which deposited upon standing for several days, was filtered off and dried in vacuo (Mp = 490-492 K).

Refinement top

H atoms bonded to C and N atoms were included in calculated positions and were refined with a riding model using distances of 0.95 Å (aryl H), and Uiso(H) = 1.2Ueq(C); 0.99 Å (CH2) and Uiso(H) = 1.5Ueq(C); 0.88 Å (NH), and Uiso(H) = 1.2Ueq(N). Two phenyl rings from two dppm ligands are disordered. The ADPs of ipso carbon atoms were constrained to be identical for each disordered pair of phenyl rings. The geometry of the minor moiety of each pair of disordered phenyl rings was restrained to be similar to that of the major moiety (within a standard deviation of 0.02 Angstroms). Carbon atoms of one phenyl ring were restrained with effective standard deviation 0.01 to have the same Uij components. To ensure satisfactory refinement the atoms of each disorder component of the phenyl rings were restrained to lie within a common plane. The overall ratio of the two components of disorder, refined with the same free variable, is 0.516:0.484 (3).

Related literature top

For studies of silver(I) complexes with diphosphane, see: Matsumoto et al. (2001); Nicola et al. (2005, 2006). For their potential applications, see: Song et al. (2010); Sun et al. (2011). For applications of the coordination chemistry of silver(I) complexes with phosphorus- and sulfur-donor ligands, see: Isab et al. (2010).

Structure description top

The studies of silver(I) complexes with diphosphane has been receiving more attention (Matsumoto et al., 2001; Nicola et al., 2005; Nicola et al., 2006) because of their potential applications such as show inter­esting luminescence properties (Song et al., 2010; Sun et al., 2011). The coordination chemistry of silver(I) complexes with phospho­rus and sulfur donor ligands, on the other hand have been of increasing inter­est due to their potential applications such as anti­microbial activities (Isab et al., 2010). Herein, the title complex was prepared by reacting silver (I) bromide and dppm ligand, followed by the addition of ptu in aceto­nitrile solvent. An unexpexted complex [Ag3(C25H22P2)33-Br)2]+ unit was formed in the uncoordinated of ptu.

The title complex comprises of a trinuclear [Ag3(C25H22P2)33-Br)2]+ unit, Br anion and one N,N'-di­methyl­thio­urea molecule (ptu). The bromide anion forms a triple bridge from the both side of the Ag-3 plane leading to distorted triangular bipyramid with an Ag···Ag separation of 3.1046 (6)-3.3556 (6) Å. A triangular Ag3 arrangement stabilized by six P atoms from three chelating dppm ligands (Fig.1). The AgI ion presents a distorted tetra­hedral coordination geometry. In the crystal, The bromide anions is connected to ptu ligand with N—H···Br hydrogen bonds between the ptu NH2 and NHPh moieties and the bromide anion [graph-set motif R12(6)] (Fig.1 and Table 1). The dimers are in turn connected with complex ion via C—H···S and C—H···Br hydrogen bonds [C63(sp3)—H63A···S1, with H63A···S1 = 2.8858 (5) Å, C63(sp3)···S1 = 3.8147 (7) Å and C63(sp3)—H63A···S1 = 156.604 (4)°; C47(sp2)—H47···S1i, with H47···S1i = 2.8085 (4) Å, C47(sp2)···S1i = 3.6448 (6) Å and C47(sp2)—H47···S1i = 147.374 (7)°; C13(sp3)—H13A···Br3ii, with H13A···Br3ii = 2.8043 (5) Å, C13(sp3)···Br3ii = 3.7048 (7) Å and C13(sp3)—H13A···Br3ii = 151.555 (6)°; C6(sp2)—H6···Br3ii, with H6···Br3ii = 2.9249 (5) Å, C6(sp2)···Br3ii = 3.8550 (6) Å and C6(sp2)—H6···Br3ii = 166.483 (2)°; C73(sp2)—H73···Br3iii, with H73···Br3iii = 3.0296 (5) Å, C73(sp2)···Br3ii = 3.7706 (5) Å and C73(sp2)—H73···Br3iii = 135.934 (6)°, symmetry code: (i) 1-x,1-y, 1-z, (ii) 1/2+x, 1/2-y, 1/2+z, (iii) 1+x, y, z] leading to the formation of a three-dimensional network, Fig. 2. In complex, two phenyl rings from two dppm ligands are disordered over two sites with refined occupancies 0.516 (3):0.484 (3).

Bis(di­phenyl­phosphanyl)methane, dppm, (0.1 g, 0.26 mmol) was dissolved in 30 ml of aceto­nitrile at 343 K and then silver(I) bromide, AgBr, (0.05 g, 0.27 mmol) was added. The mixture was stirred for 4 hr and then N,N′-phenyl­thio­urea, ptu, (0.04 g, 0.26 mmol) was added and the new reaction mixture was heated under reflux for 6 hr during which the precipitate gradually disappeared. The resulting clear solution was filtered and left to evaporate at room temperature. The crystalline complex, which deposited upon standing for several days, was filtered off and dried in vacuo (Mp = 490-492 K).

For studies of silver(I) complexes with diphosphane, see: Matsumoto et al. (2001); Nicola et al. (2005, 2006). For their potential applications, see: Song et al. (2010); Sun et al. (2011). For applications of the coordination chemistry of silver(I) complexes with phosphorus- and sulfur-donor ligands, see: Isab et al. (2010).

Refinement details top

H atoms bonded to C and N atoms were included in calculated positions and were refined with a riding model using distances of 0.95 Å (aryl H), and Uiso(H) = 1.2Ueq(C); 0.99 Å (CH2) and Uiso(H) = 1.5Ueq(C); 0.88 Å (NH), and Uiso(H) = 1.2Ueq(N). Two phenyl rings from two dppm ligands are disordered. The ADPs of ipso carbon atoms were constrained to be identical for each disordered pair of phenyl rings. The geometry of the minor moiety of each pair of disordered phenyl rings was restrained to be similar to that of the major moiety (within a standard deviation of 0.02 Angstroms). Carbon atoms of one phenyl ring were restrained with effective standard deviation 0.01 to have the same Uij components. To ensure satisfactory refinement the atoms of each disorder component of the phenyl rings were restrained to lie within a common plane. The overall ratio of the two components of disorder, refined with the same free variable, is 0.516:0.484 (3).

Computing details top

Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015) and SHELXLE (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. The molecular structure with displacement ellipsoids drawn at the 50% probability level. The minor component of disorder is omitted for clarity. The dashed lines show N—H···Br hydrogen bonds between the ptu and the bromide anion.
[Figure 2] Fig. 2. Part of the crystal structure showing intermolecular C—H···S and C—H···Br hydrogen bonds as dashed lines, forming a three-dimensional network.
Tris[µ2-bis(diphenylphosphanyl)methane-κ2P:P']di-µ3-bromido-trisilver(I) bromide–N,N'-phenylthiourea (1/1) top
Crystal data top
[Ag3Br2(C25H22P2)3]Br·C7H8N2SF(000) = 3728
Mr = 1868.65Dx = 1.629 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.550 (2) ÅCell parameters from 9918 reflections
b = 28.329 (6) Åθ = 2.4–31.0°
c = 25.622 (6) ŵ = 2.54 mm1
β = 95.859 (4)°T = 100 K
V = 7618 (3) Å3Plate, colourless
Z = 40.22 × 0.15 × 0.07 mm
Data collection top
Bruker APEXII CCD
diffractometer
22914 independent reflections
Radiation source: fine focus sealed tube16918 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.045
ω and phi scansθmax = 31.6°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Bruker, 2013)
h = 1415
Tmin = 0.516, Tmax = 0.746k = 4140
54265 measured reflectionsl = 3734
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0466P)2]
where P = (Fo2 + 2Fc2)/3
22914 reflections(Δ/σ)max = 0.002
911 parametersΔρmax = 1.48 e Å3
84 restraintsΔρmin = 0.67 e Å3
Crystal data top
[Ag3Br2(C25H22P2)3]Br·C7H8N2SV = 7618 (3) Å3
Mr = 1868.65Z = 4
Monoclinic, P21/nMo Kα radiation
a = 10.550 (2) ŵ = 2.54 mm1
b = 28.329 (6) ÅT = 100 K
c = 25.622 (6) Å0.22 × 0.15 × 0.07 mm
β = 95.859 (4)°
Data collection top
Bruker APEXII CCD
diffractometer
22914 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2013)
16918 reflections with I > 2σ(I)
Tmin = 0.516, Tmax = 0.746Rint = 0.045
54265 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.04184 restraints
wR(F2) = 0.097H-atom parameters constrained
S = 0.99Δρmax = 1.48 e Å3
22914 reflectionsΔρmin = 0.67 e Å3
911 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag10.33769 (2)0.37216 (2)0.27599 (2)0.01259 (5)
N10.1998 (3)0.22267 (10)0.52865 (10)0.0208 (6)
H10.12760.20700.52320.025*
Ag20.32849 (2)0.46893 (2)0.21886 (2)0.01357 (5)
N20.0638 (3)0.28067 (11)0.54553 (11)0.0270 (7)
H2A0.00280.25960.53990.032*
H2B0.04530.30980.55380.032*
Ag30.23807 (2)0.46874 (2)0.33571 (2)0.01366 (5)
Br10.11287 (3)0.42417 (2)0.24594 (2)0.01306 (6)
Br20.48997 (3)0.45280 (2)0.31192 (2)0.01420 (6)
Br30.09567 (3)0.18130 (2)0.50475 (2)0.02136 (7)
S10.30352 (10)0.30847 (3)0.55186 (4)0.0294 (2)
P10.39353 (8)0.33426 (3)0.19510 (3)0.01126 (15)
P20.40445 (7)0.43109 (3)0.14236 (3)0.01113 (15)
P30.30916 (8)0.55483 (3)0.21908 (3)0.01422 (16)
P40.22981 (8)0.55464 (3)0.32896 (3)0.01435 (16)
P50.20031 (7)0.41805 (2)0.40940 (3)0.01062 (14)
P60.32377 (7)0.33211 (2)0.36017 (3)0.00953 (14)
C10.3026 (3)0.28056 (10)0.17841 (12)0.0135 (6)
C20.2385 (3)0.25967 (11)0.21746 (12)0.0179 (6)
H20.25380.27050.25260.021*
C30.1523 (3)0.22307 (11)0.20549 (13)0.0218 (7)
H30.10820.20940.23230.026*
C40.1310 (3)0.20653 (11)0.15435 (14)0.0220 (7)
H40.07090.18200.14590.026*
C50.1975 (3)0.22578 (11)0.11581 (13)0.0236 (7)
H50.18500.21370.08110.028*
C60.2824 (3)0.26262 (11)0.12729 (12)0.0189 (7)
H60.32710.27570.10040.023*
C70.5627 (3)0.32034 (10)0.19620 (11)0.0128 (6)
C80.6093 (3)0.28461 (11)0.16582 (12)0.0178 (6)
H80.55170.26470.14510.021*
C90.7398 (3)0.27816 (12)0.16592 (12)0.0222 (7)
H90.77170.25330.14600.027*
C100.8236 (3)0.30803 (12)0.19509 (12)0.0221 (7)
H100.91280.30440.19410.026*
C110.7777 (3)0.34335 (12)0.22590 (12)0.0194 (7)
H110.83540.36340.24640.023*
C120.6478 (3)0.34914 (11)0.22651 (11)0.0165 (6)
H120.61640.37300.24780.020*
C130.3576 (3)0.36918 (9)0.13480 (11)0.0119 (6)
H13A0.40230.35500.10650.014*
H13B0.26500.36750.12390.014*
C140.5749 (3)0.43369 (10)0.13824 (11)0.0131 (6)
C150.6406 (3)0.40371 (10)0.10697 (11)0.0147 (6)
H150.59490.38130.08480.018*
C160.7720 (3)0.40657 (11)0.10827 (12)0.0187 (7)
H160.81620.38640.08670.022*
C170.8391 (3)0.43896 (11)0.14108 (12)0.0188 (7)
H170.92930.44050.14230.023*
C180.7753 (3)0.46885 (12)0.17192 (13)0.0211 (7)
H180.82150.49120.19400.025*
C190.6439 (3)0.46623 (10)0.17076 (12)0.0175 (6)
H190.60040.48670.19230.021*
C200.3285 (3)0.45680 (10)0.08174 (11)0.0134 (6)
C210.3851 (3)0.45927 (12)0.03490 (13)0.0227 (7)
H210.46680.44580.03270.027*
C220.3213 (4)0.48155 (13)0.00852 (13)0.0271 (8)
H220.35990.48310.04040.033*
C230.2030 (3)0.50133 (12)0.00577 (13)0.0242 (7)
H230.16120.51720.03530.029*
C240.1450 (3)0.49800 (12)0.04033 (13)0.0215 (7)
H240.06250.51090.04210.026*
C250.2078 (3)0.47579 (11)0.08381 (12)0.0168 (6)
H250.16780.47360.11530.020*
C260.4327 (3)0.57893 (10)0.18207 (13)0.0156 (6)
C270.4095 (3)0.57758 (11)0.12688 (13)0.0197 (7)
H270.32970.56660.11090.024*
C280.5017 (3)0.59203 (11)0.09599 (13)0.0202 (7)
H280.48470.59150.05890.024*
C290.6190 (3)0.60739 (11)0.11890 (14)0.0220 (7)
H290.68230.61740.09750.026*
C300.6441 (3)0.60825 (12)0.17276 (13)0.0224 (7)
H300.72500.61840.18840.027*
C310.5505 (3)0.59421 (11)0.20420 (13)0.0191 (7)
H310.56800.59520.24130.023*
C320.1689 (3)0.58400 (10)0.18803 (12)0.0145 (6)
C330.1700 (3)0.63239 (11)0.17634 (14)0.0215 (7)
H330.24300.65080.18770.026*
C340.0665 (3)0.65352 (11)0.14861 (14)0.0233 (7)
H340.06780.68630.14070.028*
C350.0399 (3)0.62635 (12)0.13241 (14)0.0226 (7)
H350.11130.64070.11310.027*
C360.0436 (3)0.57915 (11)0.14380 (13)0.0187 (7)
H360.11750.56120.13260.022*
C370.0608 (3)0.55740 (10)0.17176 (12)0.0151 (6)
H370.05830.52470.17970.018*
C380.3365 (3)0.58099 (10)0.28477 (12)0.0172 (6)
H38A0.42610.57580.29910.021*
H38B0.32150.61550.28240.021*
C390.0748 (3)0.58239 (11)0.31259 (12)0.0181 (6)
C400.0589 (4)0.63057 (14)0.3120 (2)0.0498 (13)
H400.13180.65040.31640.060*
C410.0612 (4)0.65071 (15)0.30531 (19)0.0478 (13)
H410.07100.68400.30570.057*
C420.1668 (4)0.62162 (15)0.29795 (15)0.0342 (9)
H420.24980.63500.29370.041*
C430.1522 (4)0.57369 (15)0.29676 (17)0.0365 (10)
H430.22500.55390.29110.044*
C440.0307 (3)0.55371 (13)0.30385 (14)0.0251 (8)
H440.02080.52040.30260.030*
C450.2777 (11)0.5780 (4)0.3971 (4)0.0122 (15)0.516 (3)
C460.3967 (9)0.5973 (3)0.4121 (4)0.0183 (14)0.516 (3)
H460.45870.59870.38770.022*0.516 (3)
C470.4256 (8)0.6145 (3)0.4627 (3)0.0188 (13)0.516 (3)
H470.50710.62790.47260.023*0.516 (3)
C480.3389 (7)0.6124 (3)0.4981 (3)0.0224 (13)0.516 (3)
H480.35850.62540.53210.027*0.516 (3)
C490.2213 (7)0.5911 (3)0.4848 (3)0.0276 (11)0.516 (3)
H490.16230.58790.51020.033*0.516 (3)
C500.1908 (6)0.5746 (2)0.4341 (2)0.0209 (10)0.516 (3)
H500.10960.56080.42460.025*0.516 (3)
C510.2228 (11)0.4458 (6)0.4734 (5)0.0135 (8)0.516 (3)
C520.1633 (6)0.4293 (2)0.5154 (2)0.0249 (11)0.516 (3)
H520.10470.40390.51040.030*0.516 (3)
C530.1885 (7)0.4497 (3)0.5653 (3)0.0307 (12)0.516 (3)
H530.14680.43810.59390.037*0.516 (3)
C540.2734 (9)0.4864 (5)0.5727 (5)0.025 (2)0.516 (3)
H540.29050.50020.60650.030*0.516 (3)
C550.3341 (8)0.5032 (3)0.5313 (3)0.0281 (13)0.516 (3)
H550.39300.52860.53650.034*0.516 (3)
C560.3088 (7)0.4829 (2)0.4817 (3)0.0254 (12)0.516 (3)
H560.35080.49460.45330.030*0.516 (3)
C45B0.2865 (11)0.5844 (5)0.3875 (4)0.0122 (15)0.484 (3)
C46B0.4167 (10)0.5857 (3)0.4039 (4)0.0183 (14)0.484 (3)
H46B0.47580.57380.38150.022*0.484 (3)
C47B0.4608 (8)0.6041 (3)0.4528 (4)0.0188 (13)0.484 (3)
H47B0.54960.60480.46380.023*0.484 (3)
C48B0.3762 (8)0.6212 (3)0.4847 (3)0.0224 (13)0.484 (3)
H48B0.40640.63510.51730.027*0.484 (3)
C49B0.2443 (7)0.6183 (3)0.4699 (3)0.0276 (11)0.484 (3)
H49B0.18560.62880.49310.033*0.484 (3)
C50B0.2004 (7)0.6001 (3)0.4211 (3)0.0209 (10)0.484 (3)
H50B0.11140.59840.41070.025*0.484 (3)
C51B0.2112 (12)0.4459 (6)0.4751 (5)0.0135 (8)0.484 (3)
C52B0.1055 (7)0.4548 (3)0.5012 (3)0.0249 (11)0.484 (3)
H52B0.02370.44510.48610.030*0.484 (3)
C53B0.1177 (8)0.4779 (3)0.5496 (3)0.0307 (12)0.484 (3)
H53B0.04430.48410.56710.037*0.484 (3)
C54B0.2351 (10)0.4915 (6)0.5717 (5)0.025 (2)0.484 (3)
H54B0.24280.50730.60460.030*0.484 (3)
C55B0.3418 (9)0.4827 (3)0.5471 (3)0.0281 (13)0.484 (3)
H55B0.42340.49140.56340.034*0.484 (3)
C56B0.3304 (8)0.4607 (3)0.4973 (3)0.0254 (12)0.484 (3)
H56B0.40360.45600.47920.030*0.484 (3)
C570.0437 (3)0.39098 (10)0.40417 (11)0.0139 (6)
C580.0532 (3)0.41234 (10)0.37112 (12)0.0160 (6)
H580.03610.44020.35240.019*
C590.1751 (3)0.39270 (12)0.36560 (13)0.0203 (7)
H590.24120.40740.34340.024*
C600.2000 (3)0.35182 (11)0.39231 (13)0.0201 (7)
H600.28310.33850.38840.024*
C610.1038 (3)0.33040 (11)0.42470 (12)0.0176 (6)
H610.12080.30210.44260.021*
C620.0169 (3)0.34995 (10)0.43120 (11)0.0142 (6)
H620.08190.33540.45410.017*
C630.3137 (3)0.36871 (10)0.41920 (11)0.0124 (6)
H63A0.28830.34840.44780.015*
H63B0.39930.38160.43060.015*
C640.1905 (3)0.29088 (10)0.35797 (11)0.0099 (5)
C650.0845 (3)0.29975 (10)0.32184 (11)0.0131 (6)
H650.08260.32710.30030.016*
C660.0178 (3)0.26867 (11)0.31741 (12)0.0159 (6)
H660.08960.27480.29290.019*
C670.0153 (3)0.22896 (11)0.34855 (12)0.0177 (6)
H670.08520.20770.34520.021*
C680.0886 (3)0.21991 (11)0.38471 (13)0.0196 (7)
H680.08950.19260.40630.024*
C690.1915 (3)0.25077 (10)0.38943 (12)0.0164 (6)
H690.26270.24450.41420.020*
C700.4627 (3)0.29512 (10)0.37822 (11)0.0110 (5)
C710.5029 (3)0.28114 (10)0.42952 (11)0.0141 (6)
H710.45710.29130.45750.017*
C720.6092 (3)0.25244 (10)0.43993 (12)0.0151 (6)
H720.63580.24330.47500.018*
C730.6766 (3)0.23708 (10)0.39950 (12)0.0161 (6)
H730.74960.21760.40680.019*
C740.6371 (3)0.25031 (10)0.34796 (12)0.0159 (6)
H740.68210.23940.32000.019*
C750.5318 (3)0.27945 (10)0.33759 (12)0.0135 (6)
H750.50620.28890.30250.016*
C760.1869 (3)0.26821 (12)0.54145 (12)0.0227 (7)
C770.3106 (3)0.19549 (11)0.52243 (12)0.0199 (7)
C780.4293 (3)0.20346 (12)0.55037 (13)0.0242 (7)
H780.44130.22920.57410.029*
C790.5292 (4)0.17338 (13)0.54304 (15)0.0288 (8)
H790.61020.17900.56180.035*
C800.5148 (4)0.13535 (13)0.50923 (15)0.0293 (8)
H800.58450.11510.50450.035*
C810.3955 (4)0.12751 (12)0.48229 (14)0.0287 (8)
H810.38340.10140.45910.034*
C820.2940 (3)0.15714 (12)0.48869 (13)0.0228 (7)
H820.21310.15130.47000.027*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.01728 (12)0.01151 (10)0.00935 (10)0.00142 (8)0.00309 (8)0.00115 (7)
N10.0172 (14)0.0257 (14)0.0193 (14)0.0012 (11)0.0017 (12)0.0029 (11)
Ag20.01765 (12)0.01044 (10)0.01319 (11)0.00094 (8)0.00432 (9)0.00010 (8)
N20.0298 (17)0.0256 (15)0.0261 (16)0.0045 (13)0.0058 (13)0.0087 (12)
Ag30.01611 (12)0.01252 (10)0.01280 (11)0.00024 (8)0.00365 (9)0.00067 (8)
Br10.01077 (14)0.01522 (13)0.01283 (14)0.00082 (11)0.00048 (11)0.00105 (10)
Br20.01078 (14)0.01633 (14)0.01521 (15)0.00028 (11)0.00002 (11)0.00229 (11)
Br30.01916 (17)0.03082 (18)0.01429 (15)0.00201 (13)0.00257 (13)0.00306 (12)
S10.0366 (6)0.0236 (4)0.0284 (5)0.0072 (4)0.0054 (4)0.0083 (4)
P10.0146 (4)0.0101 (3)0.0090 (3)0.0009 (3)0.0012 (3)0.0001 (3)
P20.0130 (4)0.0104 (3)0.0100 (4)0.0014 (3)0.0017 (3)0.0011 (3)
P30.0124 (4)0.0086 (3)0.0217 (4)0.0009 (3)0.0020 (3)0.0019 (3)
P40.0127 (4)0.0116 (3)0.0187 (4)0.0003 (3)0.0009 (3)0.0042 (3)
P50.0112 (4)0.0100 (3)0.0107 (4)0.0000 (3)0.0013 (3)0.0006 (3)
P60.0097 (4)0.0099 (3)0.0090 (3)0.0007 (3)0.0013 (3)0.0010 (3)
C10.0160 (16)0.0104 (13)0.0142 (15)0.0007 (11)0.0014 (12)0.0000 (10)
C20.0219 (17)0.0161 (14)0.0161 (16)0.0004 (12)0.0042 (13)0.0017 (11)
C30.0237 (18)0.0192 (15)0.0240 (18)0.0010 (13)0.0103 (15)0.0010 (13)
C40.0195 (17)0.0125 (14)0.033 (2)0.0022 (12)0.0014 (15)0.0011 (13)
C50.035 (2)0.0157 (15)0.0188 (17)0.0007 (14)0.0041 (15)0.0019 (12)
C60.0271 (18)0.0169 (14)0.0122 (15)0.0023 (13)0.0005 (13)0.0004 (11)
C70.0149 (15)0.0165 (14)0.0073 (13)0.0033 (11)0.0019 (11)0.0026 (10)
C80.0237 (18)0.0180 (14)0.0113 (15)0.0040 (13)0.0006 (13)0.0025 (11)
C90.0265 (19)0.0274 (17)0.0135 (16)0.0124 (14)0.0056 (14)0.0004 (13)
C100.0152 (17)0.0358 (19)0.0156 (16)0.0099 (14)0.0031 (13)0.0065 (14)
C110.0192 (17)0.0252 (16)0.0135 (15)0.0009 (13)0.0003 (13)0.0037 (12)
C120.0217 (17)0.0171 (14)0.0105 (14)0.0034 (12)0.0008 (12)0.0001 (11)
C130.0140 (15)0.0112 (13)0.0102 (14)0.0009 (11)0.0000 (11)0.0011 (10)
C140.0154 (15)0.0113 (13)0.0129 (14)0.0016 (11)0.0028 (12)0.0032 (10)
C150.0159 (16)0.0168 (14)0.0111 (14)0.0007 (12)0.0005 (12)0.0003 (11)
C160.0177 (17)0.0233 (16)0.0159 (16)0.0034 (13)0.0060 (13)0.0014 (12)
C170.0112 (16)0.0270 (17)0.0180 (16)0.0002 (13)0.0005 (13)0.0043 (13)
C180.0200 (18)0.0237 (16)0.0194 (17)0.0071 (13)0.0007 (14)0.0022 (13)
C190.0189 (17)0.0141 (14)0.0196 (16)0.0021 (12)0.0020 (13)0.0014 (12)
C200.0180 (16)0.0107 (13)0.0111 (14)0.0012 (11)0.0004 (12)0.0011 (10)
C210.0205 (18)0.0307 (18)0.0175 (17)0.0090 (14)0.0052 (14)0.0076 (13)
C220.028 (2)0.040 (2)0.0141 (17)0.0044 (16)0.0052 (15)0.0104 (14)
C230.0246 (19)0.0271 (17)0.0193 (17)0.0013 (14)0.0052 (14)0.0094 (13)
C240.0153 (17)0.0241 (16)0.0241 (18)0.0050 (13)0.0027 (14)0.0014 (13)
C250.0171 (16)0.0194 (15)0.0138 (15)0.0010 (12)0.0015 (12)0.0009 (11)
C260.0107 (15)0.0131 (14)0.0232 (17)0.0026 (11)0.0031 (12)0.0029 (11)
C270.0186 (17)0.0177 (15)0.0224 (17)0.0003 (13)0.0001 (14)0.0005 (12)
C280.0201 (17)0.0209 (15)0.0195 (17)0.0019 (13)0.0006 (14)0.0025 (12)
C290.0156 (17)0.0216 (16)0.0300 (19)0.0020 (13)0.0077 (14)0.0044 (13)
C300.0141 (17)0.0253 (17)0.0278 (19)0.0005 (13)0.0023 (14)0.0027 (14)
C310.0176 (17)0.0211 (15)0.0185 (16)0.0017 (13)0.0020 (13)0.0025 (12)
C320.0099 (15)0.0143 (13)0.0198 (16)0.0036 (11)0.0040 (12)0.0002 (11)
C330.0166 (17)0.0125 (14)0.035 (2)0.0006 (12)0.0024 (15)0.0020 (13)
C340.0181 (17)0.0146 (15)0.037 (2)0.0028 (13)0.0040 (15)0.0050 (13)
C350.0125 (16)0.0246 (17)0.0308 (19)0.0044 (13)0.0027 (14)0.0079 (14)
C360.0103 (15)0.0215 (16)0.0247 (17)0.0006 (12)0.0038 (13)0.0051 (13)
C370.0160 (16)0.0120 (13)0.0178 (15)0.0007 (11)0.0033 (12)0.0010 (11)
C380.0158 (16)0.0129 (14)0.0226 (17)0.0018 (12)0.0005 (13)0.0006 (12)
C390.0142 (16)0.0226 (16)0.0173 (16)0.0018 (12)0.0007 (13)0.0055 (12)
C400.024 (2)0.025 (2)0.096 (4)0.0047 (17)0.014 (2)0.020 (2)
C410.029 (2)0.029 (2)0.080 (4)0.0149 (18)0.018 (2)0.025 (2)
C420.0180 (19)0.052 (3)0.031 (2)0.0180 (17)0.0022 (16)0.0054 (18)
C430.0119 (18)0.046 (2)0.051 (3)0.0042 (16)0.0009 (17)0.013 (2)
C440.0205 (18)0.0286 (18)0.0257 (19)0.0018 (14)0.0001 (15)0.0091 (14)
C450.018 (2)0.012 (3)0.007 (3)0.0003 (18)0.000 (2)0.004 (3)
C460.019 (3)0.026 (4)0.011 (3)0.006 (2)0.003 (2)0.000 (2)
C470.016 (4)0.026 (3)0.014 (3)0.005 (2)0.002 (2)0.002 (2)
C480.023 (4)0.029 (3)0.015 (3)0.001 (2)0.002 (2)0.008 (2)
C490.028 (3)0.036 (3)0.020 (3)0.004 (3)0.006 (2)0.012 (2)
C500.020 (2)0.026 (3)0.017 (3)0.001 (2)0.0026 (19)0.006 (2)
C510.018 (2)0.0112 (13)0.0113 (15)0.0006 (15)0.0003 (14)0.0019 (11)
C520.019 (3)0.039 (3)0.017 (2)0.004 (2)0.006 (2)0.012 (2)
C530.037 (3)0.041 (3)0.017 (3)0.006 (2)0.016 (2)0.012 (2)
C540.031 (6)0.026 (3)0.0171 (19)0.008 (5)0.002 (4)0.010 (2)
C550.042 (3)0.021 (3)0.020 (3)0.011 (3)0.007 (3)0.003 (2)
C560.033 (3)0.024 (3)0.019 (3)0.006 (3)0.001 (2)0.001 (2)
C45B0.018 (2)0.012 (3)0.007 (3)0.0003 (18)0.000 (2)0.004 (3)
C46B0.019 (3)0.026 (4)0.011 (3)0.006 (2)0.003 (2)0.000 (2)
C47B0.016 (4)0.026 (3)0.014 (3)0.005 (2)0.002 (2)0.002 (2)
C48B0.023 (4)0.029 (3)0.015 (3)0.001 (2)0.002 (2)0.008 (2)
C49B0.028 (3)0.036 (3)0.020 (3)0.004 (3)0.006 (2)0.012 (2)
C50B0.020 (2)0.026 (3)0.017 (3)0.001 (2)0.0026 (19)0.006 (2)
C51B0.018 (2)0.0112 (13)0.0113 (15)0.0006 (15)0.0003 (14)0.0019 (11)
C52B0.019 (3)0.039 (3)0.017 (2)0.004 (2)0.006 (2)0.012 (2)
C53B0.037 (3)0.041 (3)0.017 (3)0.006 (2)0.016 (2)0.012 (2)
C54B0.031 (6)0.026 (3)0.0171 (19)0.008 (5)0.002 (4)0.010 (2)
C55B0.042 (3)0.021 (3)0.020 (3)0.011 (3)0.007 (3)0.003 (2)
C56B0.033 (3)0.024 (3)0.019 (3)0.006 (3)0.001 (2)0.001 (2)
C570.0147 (15)0.0159 (13)0.0120 (14)0.0002 (12)0.0058 (12)0.0022 (11)
C580.0162 (16)0.0141 (14)0.0177 (16)0.0019 (12)0.0022 (13)0.0028 (11)
C590.0147 (16)0.0255 (16)0.0198 (17)0.0018 (13)0.0020 (13)0.0056 (13)
C600.0114 (16)0.0250 (16)0.0246 (18)0.0059 (13)0.0053 (13)0.0084 (13)
C610.0222 (17)0.0141 (14)0.0180 (16)0.0032 (12)0.0088 (13)0.0026 (11)
C620.0129 (15)0.0179 (14)0.0122 (14)0.0027 (11)0.0029 (12)0.0007 (11)
C630.0131 (15)0.0132 (13)0.0104 (14)0.0013 (11)0.0006 (11)0.0031 (10)
C640.0076 (14)0.0114 (12)0.0112 (14)0.0009 (10)0.0038 (11)0.0010 (10)
C650.0114 (15)0.0175 (14)0.0106 (14)0.0013 (11)0.0027 (11)0.0031 (11)
C660.0117 (15)0.0243 (16)0.0112 (14)0.0027 (12)0.0012 (12)0.0010 (11)
C670.0147 (16)0.0168 (14)0.0219 (17)0.0036 (12)0.0032 (13)0.0013 (12)
C680.0166 (17)0.0153 (14)0.0269 (18)0.0028 (12)0.0024 (14)0.0073 (12)
C690.0138 (16)0.0165 (14)0.0185 (16)0.0020 (12)0.0002 (12)0.0037 (11)
C700.0087 (14)0.0115 (12)0.0123 (14)0.0001 (10)0.0010 (11)0.0001 (10)
C710.0153 (15)0.0166 (14)0.0105 (14)0.0018 (12)0.0023 (12)0.0006 (11)
C720.0118 (15)0.0170 (14)0.0157 (15)0.0015 (11)0.0027 (12)0.0020 (11)
C730.0107 (15)0.0121 (13)0.0246 (17)0.0012 (11)0.0024 (13)0.0025 (12)
C740.0158 (16)0.0168 (14)0.0163 (15)0.0011 (12)0.0071 (13)0.0022 (11)
C750.0121 (15)0.0125 (13)0.0160 (15)0.0002 (11)0.0018 (12)0.0013 (11)
C760.031 (2)0.0252 (17)0.0129 (16)0.0021 (14)0.0050 (14)0.0115 (13)
C770.0220 (18)0.0207 (15)0.0173 (16)0.0021 (13)0.0039 (13)0.0095 (12)
C780.0222 (18)0.0271 (18)0.0232 (18)0.0030 (14)0.0023 (15)0.0037 (14)
C790.0204 (19)0.035 (2)0.031 (2)0.0046 (15)0.0029 (16)0.0097 (16)
C800.027 (2)0.0289 (19)0.034 (2)0.0049 (15)0.0104 (17)0.0097 (15)
C810.038 (2)0.0239 (17)0.0246 (19)0.0007 (16)0.0050 (17)0.0048 (14)
C820.0273 (19)0.0233 (16)0.0174 (17)0.0005 (14)0.0004 (14)0.0045 (13)
Geometric parameters (Å, º) top
Ag1—P62.4548 (9)C36—C371.395 (4)
Ag1—P12.4586 (9)C36—H360.9500
Ag1—Br12.8314 (6)C37—H370.9500
Ag1—Br22.8888 (6)C38—H38A0.9900
Ag1—Ag23.1046 (6)C38—H38B0.9900
Ag1—Ag33.3556 (6)C39—C401.375 (5)
N1—C761.342 (4)C39—C441.378 (5)
N1—C771.422 (4)C40—C411.385 (6)
N1—H10.8800C40—H400.9500
Ag2—P22.4402 (9)C41—C421.383 (6)
Ag2—P32.4420 (9)C41—H410.9500
Ag2—Br12.7543 (6)C42—C431.367 (6)
Ag2—Br22.8226 (6)C42—H420.9500
Ag2—Ag33.2336 (7)C43—C441.397 (5)
N2—C761.360 (4)C43—H430.9500
N2—H2A0.8800C44—H440.9500
N2—H2B0.8800C45—C461.386 (10)
Ag3—P52.4372 (9)C45—C501.389 (10)
Ag3—P42.4405 (10)C46—C471.391 (9)
Ag3—Br22.8230 (7)C46—H460.9500
Ag3—Br12.8301 (6)C47—C481.354 (9)
S1—C761.679 (4)C47—H470.9500
P1—C71.825 (3)C48—C491.390 (9)
P1—C11.826 (3)C48—H480.9500
P1—C131.841 (3)C49—C501.388 (8)
P2—C141.814 (3)C49—H490.9500
P2—C201.825 (3)C50—H500.9500
P2—C131.827 (3)C51—C521.381 (12)
P3—C321.807 (3)C51—C561.390 (11)
P3—C261.821 (3)C52—C531.404 (8)
P3—C381.835 (3)C52—H520.9500
P4—C45B1.771 (13)C53—C541.373 (12)
P4—C391.824 (3)C53—H530.9500
P4—C381.835 (3)C54—C551.380 (13)
P4—C451.887 (11)C54—H540.9500
P5—C511.813 (12)C55—C561.395 (8)
P5—C571.814 (3)C55—H550.9500
P5—C631.840 (3)C56—H560.9500
P5—C51B1.852 (12)C45B—C50B1.387 (11)
P6—C701.823 (3)C45B—C46B1.395 (11)
P6—C641.824 (3)C46B—C47B1.394 (10)
P6—C631.846 (3)C46B—H46B0.9500
C1—C21.396 (4)C47B—C48B1.359 (10)
C1—C61.401 (4)C47B—H47B0.9500
C2—C31.392 (4)C48B—C49B1.408 (10)
C2—H20.9500C48B—H48B0.9500
C3—C41.388 (5)C49B—C50B1.387 (9)
C3—H30.9500C49B—H49B0.9500
C4—C51.380 (5)C50B—H50B0.9500
C4—H40.9500C51B—C52B1.381 (12)
C5—C61.387 (4)C51B—C56B1.391 (12)
C5—H50.9500C52B—C53B1.395 (8)
C6—H60.9500C52B—H52B0.9500
C7—C121.391 (4)C53B—C54B1.364 (12)
C7—C81.396 (4)C53B—H53B0.9500
C8—C91.389 (5)C54B—C55B1.368 (11)
C8—H80.9500C54B—H54B0.9500
C9—C101.386 (5)C55B—C56B1.414 (9)
C9—H90.9500C55B—H55B0.9500
C10—C111.392 (5)C56B—H56B0.9500
C10—H100.9500C57—C621.397 (4)
C11—C121.382 (5)C57—C581.397 (4)
C11—H110.9500C58—C591.395 (4)
C12—H120.9500C58—H580.9500
C13—H13A0.9900C59—C601.384 (5)
C13—H13B0.9900C59—H590.9500
C14—C191.396 (4)C60—C611.384 (5)
C14—C151.399 (4)C60—H600.9500
C15—C161.386 (4)C61—C621.383 (4)
C15—H150.9500C61—H610.9500
C16—C171.389 (4)C62—H620.9500
C16—H160.9500C63—H63A0.9900
C17—C181.380 (5)C63—H63B0.9900
C17—H170.9500C64—C691.393 (4)
C18—C191.386 (5)C64—C651.400 (4)
C18—H180.9500C65—C661.388 (4)
C19—H190.9500C65—H650.9500
C20—C251.389 (4)C66—C671.378 (4)
C20—C211.396 (4)C66—H660.9500
C21—C221.391 (4)C67—C681.385 (4)
C21—H210.9500C67—H670.9500
C22—C231.377 (5)C68—C691.389 (4)
C22—H220.9500C68—H680.9500
C23—C241.388 (5)C69—H690.9500
C23—H230.9500C70—C711.397 (4)
C24—C251.387 (4)C70—C751.402 (4)
C24—H240.9500C71—C721.389 (4)
C25—H250.9500C71—H710.9500
C26—C311.382 (4)C72—C731.386 (4)
C26—C271.411 (4)C72—H720.9500
C27—C281.377 (5)C73—C741.395 (4)
C27—H270.9500C73—H730.9500
C28—C291.385 (5)C74—C751.388 (4)
C28—H280.9500C74—H740.9500
C29—C301.379 (5)C75—H750.9500
C29—H290.9500C77—C821.388 (5)
C30—C311.394 (5)C77—C781.396 (5)
C30—H300.9500C78—C791.383 (5)
C31—H310.9500C78—H780.9500
C32—C371.395 (4)C79—C801.381 (5)
C32—C331.404 (4)C79—H790.9500
C33—C341.378 (5)C80—C811.390 (5)
C33—H330.9500C80—H800.9500
C34—C351.389 (5)C81—C821.383 (5)
C34—H340.9500C81—H810.9500
C35—C361.370 (4)C82—H820.9500
C35—H350.9500
P6—Ag1—P1125.44 (3)C37—C32—C33119.2 (3)
P6—Ag1—Br1110.85 (2)C37—C32—P3119.5 (2)
P1—Ag1—Br1105.31 (2)C33—C32—P3121.1 (2)
P6—Ag1—Br299.60 (2)C34—C33—C32120.7 (3)
P1—Ag1—Br2116.14 (2)C34—C33—H33119.6
Br1—Ag1—Br295.646 (19)C32—C33—H33119.6
P6—Ag1—Ag2145.149 (19)C33—C34—C35119.2 (3)
P1—Ag1—Ag289.24 (2)C33—C34—H34120.4
Br1—Ag1—Ag255.059 (11)C35—C34—H34120.4
Br2—Ag1—Ag256.052 (15)C36—C35—C34121.1 (3)
P6—Ag1—Ag385.79 (2)C36—C35—H35119.4
P1—Ag1—Ag3148.603 (19)C34—C35—H35119.4
Br1—Ag1—Ag353.633 (11)C35—C36—C37120.2 (3)
Br2—Ag1—Ag353.117 (15)C35—C36—H36119.9
Ag2—Ag1—Ag359.922 (16)C37—C36—H36119.9
C76—N1—C77130.7 (3)C36—C37—C32119.6 (3)
C76—N1—H1114.6C36—C37—H37120.2
C77—N1—H1114.6C32—C37—H37120.2
P2—Ag2—P3118.29 (3)P4—C38—P3110.68 (16)
P2—Ag2—Br1110.33 (2)P4—C38—H38A109.5
P3—Ag2—Br1112.77 (2)P3—C38—H38A109.5
P2—Ag2—Br2112.83 (3)P4—C38—H38B109.5
P3—Ag2—Br2101.70 (2)P3—C38—H38B109.5
Br1—Ag2—Br298.946 (17)H38A—C38—H38B108.1
P2—Ag2—Ag189.64 (2)C40—C39—C44119.2 (3)
P3—Ag2—Ag1151.34 (2)C40—C39—P4122.4 (3)
Br1—Ag2—Ag157.424 (11)C44—C39—P4118.3 (3)
Br2—Ag2—Ag158.103 (10)C39—C40—C41121.3 (4)
P2—Ag2—Ag3153.52 (2)C39—C40—H40119.3
P3—Ag2—Ag388.11 (2)C41—C40—H40119.3
Br1—Ag2—Ag355.719 (9)C42—C41—C40119.1 (4)
Br2—Ag2—Ag355.063 (16)C42—C41—H41120.5
Ag1—Ag2—Ag363.895 (10)C40—C41—H41120.5
C76—N2—H2A120.0C43—C42—C41120.3 (3)
C76—N2—H2B120.0C43—C42—H42119.9
H2A—N2—H2B120.0C41—C42—H42119.9
P5—Ag3—P4129.41 (3)C42—C43—C44120.3 (4)
P5—Ag3—Br2107.76 (2)C42—C43—H43119.9
P4—Ag3—Br299.89 (2)C44—C43—H43119.9
P5—Ag3—Br1105.49 (2)C39—C44—C43119.9 (3)
P4—Ag3—Br1112.15 (2)C39—C44—H44120.1
Br2—Ag3—Br197.161 (15)C43—C44—H44120.1
P5—Ag3—Ag2143.64 (2)C46—C45—C50118.8 (9)
P4—Ag3—Ag286.82 (2)C46—C45—P4122.9 (6)
Br2—Ag3—Ag255.050 (9)C50—C45—P4118.3 (8)
Br1—Ag3—Ag253.529 (15)C45—C46—C47120.2 (8)
P5—Ag3—Ag187.50 (2)C45—C46—H46119.9
P4—Ag3—Ag1142.31 (2)C47—C46—H46119.9
Br2—Ag3—Ag154.935 (9)C48—C47—C46120.7 (7)
Br1—Ag3—Ag153.667 (12)C48—C47—H47119.7
Ag2—Ag3—Ag156.183 (10)C46—C47—H47119.7
Ag2—Br1—Ag370.752 (15)C47—C48—C49120.2 (7)
Ag2—Br1—Ag167.518 (17)C47—C48—H48119.9
Ag3—Br1—Ag172.699 (14)C49—C48—H48119.9
Ag2—Br2—Ag369.888 (16)C50—C49—C48119.4 (7)
Ag2—Br2—Ag165.845 (13)C50—C49—H49120.3
Ag3—Br2—Ag171.948 (15)C48—C49—H49120.3
C7—P1—C1108.24 (14)C49—C50—C45120.6 (7)
C7—P1—C13104.26 (13)C49—C50—H50119.7
C1—P1—C13101.13 (13)C45—C50—H50119.7
C7—P1—Ag1113.54 (10)C52—C51—C56118.5 (9)
C1—P1—Ag1113.32 (10)C52—C51—P5122.0 (8)
C13—P1—Ag1115.24 (10)C56—C51—P5119.3 (8)
C14—P2—C20106.61 (14)C51—C52—C53120.9 (7)
C14—P2—C13106.97 (14)C51—C52—H52119.6
C20—P2—C13101.68 (13)C53—C52—H52119.6
C14—P2—Ag2115.97 (10)C54—C53—C52119.8 (7)
C20—P2—Ag2110.90 (10)C54—C53—H53120.1
C13—P2—Ag2113.54 (10)C52—C53—H53120.1
C32—P3—C26101.34 (14)C53—C54—C55120.2 (9)
C32—P3—C38105.31 (14)C53—C54—H54119.9
C26—P3—C38105.82 (15)C55—C54—H54119.9
C32—P3—Ag2121.31 (10)C54—C55—C56119.8 (7)
C26—P3—Ag2107.94 (10)C54—C55—H55120.1
C38—P3—Ag2113.52 (10)C56—C55—H55120.1
C45B—P4—C39102.0 (4)C51—C56—C55120.8 (8)
C45B—P4—C3898.8 (4)C51—C56—H56119.6
C39—P4—C38105.94 (15)C55—C56—H56119.6
C39—P4—C45102.2 (4)C50B—C45B—C46B119.5 (9)
C38—P4—C45107.7 (3)C50B—C45B—P4119.5 (8)
C45B—P4—Ag3114.1 (4)C46B—C45B—P4120.3 (8)
C39—P4—Ag3118.08 (11)C47B—C46B—C45B120.5 (8)
C38—P4—Ag3115.44 (10)C47B—C46B—H46B119.7
C45—P4—Ag3106.3 (4)C45B—C46B—H46B119.7
C51—P5—C57106.5 (3)C48B—C47B—C46B119.7 (8)
C51—P5—C63100.6 (5)C48B—C47B—H47B120.2
C57—P5—C63105.28 (14)C46B—C47B—H47B120.2
C57—P5—C51B102.6 (3)C47B—C48B—C49B120.6 (8)
C63—P5—C51B102.7 (6)C47B—C48B—H48B119.7
C51—P5—Ag3115.4 (5)C49B—C48B—H48B119.7
C57—P5—Ag3114.30 (10)C50B—C49B—C48B119.7 (7)
C63—P5—Ag3113.44 (10)C50B—C49B—H49B120.1
C51B—P5—Ag3116.9 (5)C48B—C49B—H49B120.1
C70—P6—C64103.72 (13)C49B—C50B—C45B119.9 (8)
C70—P6—C63103.13 (13)C49B—C50B—H50B120.1
C64—P6—C63106.04 (13)C45B—C50B—H50B120.1
C70—P6—Ag1111.71 (10)C52B—C51B—C56B119.2 (10)
C64—P6—Ag1112.57 (9)C52B—C51B—P5122.7 (8)
C63—P6—Ag1118.29 (10)C56B—C51B—P5118.0 (8)
C2—C1—C6118.5 (3)C51B—C52B—C53B120.7 (8)
C2—C1—P1117.9 (2)C51B—C52B—H52B119.7
C6—C1—P1123.2 (2)C53B—C52B—H52B119.7
C3—C2—C1120.8 (3)C54B—C53B—C52B119.9 (8)
C3—C2—H2119.6C54B—C53B—H53B120.0
C1—C2—H2119.6C52B—C53B—H53B120.0
C4—C3—C2119.9 (3)C53B—C54B—C55B120.8 (10)
C4—C3—H3120.1C53B—C54B—H54B119.6
C2—C3—H3120.1C55B—C54B—H54B119.6
C5—C4—C3119.8 (3)C54B—C55B—C56B119.8 (9)
C5—C4—H4120.1C54B—C55B—H55B120.1
C3—C4—H4120.1C56B—C55B—H55B120.1
C4—C5—C6120.6 (3)C51B—C56B—C55B119.5 (8)
C4—C5—H5119.7C51B—C56B—H56B120.2
C6—C5—H5119.7C55B—C56B—H56B120.2
C5—C6—C1120.3 (3)C62—C57—C58119.2 (3)
C5—C6—H6119.9C62—C57—P5123.0 (2)
C1—C6—H6119.9C58—C57—P5117.8 (2)
C12—C7—C8119.5 (3)C59—C58—C57119.9 (3)
C12—C7—P1117.2 (2)C59—C58—H58120.0
C8—C7—P1123.2 (2)C57—C58—H58120.0
C9—C8—C7120.0 (3)C60—C59—C58120.2 (3)
C9—C8—H8120.0C60—C59—H59119.9
C7—C8—H8120.0C58—C59—H59119.9
C10—C9—C8119.9 (3)C61—C60—C59119.9 (3)
C10—C9—H9120.1C61—C60—H60120.0
C8—C9—H9120.1C59—C60—H60120.0
C9—C10—C11120.4 (3)C62—C61—C60120.4 (3)
C9—C10—H10119.8C62—C61—H61119.8
C11—C10—H10119.8C60—C61—H61119.8
C12—C11—C10119.7 (3)C61—C62—C57120.3 (3)
C12—C11—H11120.2C61—C62—H62119.9
C10—C11—H11120.2C57—C62—H62119.9
C11—C12—C7120.6 (3)P5—C63—P6113.95 (15)
C11—C12—H12119.7P5—C63—H63A108.8
C7—C12—H12119.7P6—C63—H63A108.8
P2—C13—P1113.37 (15)P5—C63—H63B108.8
P2—C13—H13A108.9P6—C63—H63B108.8
P1—C13—H13A108.9H63A—C63—H63B107.7
P2—C13—H13B108.9C69—C64—C65119.2 (3)
P1—C13—H13B108.9C69—C64—P6123.0 (2)
H13A—C13—H13B107.7C65—C64—P6117.8 (2)
C19—C14—C15119.0 (3)C66—C65—C64120.1 (3)
C19—C14—P2116.8 (2)C66—C65—H65119.9
C15—C14—P2124.1 (2)C64—C65—H65119.9
C16—C15—C14120.2 (3)C67—C66—C65120.1 (3)
C16—C15—H15119.9C67—C66—H66119.9
C14—C15—H15119.9C65—C66—H66119.9
C15—C16—C17120.0 (3)C66—C67—C68120.4 (3)
C15—C16—H16120.0C66—C67—H67119.8
C17—C16—H16120.0C68—C67—H67119.8
C18—C17—C16120.2 (3)C67—C68—C69120.0 (3)
C18—C17—H17119.9C67—C68—H68120.0
C16—C17—H17119.9C69—C68—H68120.0
C17—C18—C19120.0 (3)C68—C69—C64120.2 (3)
C17—C18—H18120.0C68—C69—H69119.9
C19—C18—H18120.0C64—C69—H69119.9
C18—C19—C14120.5 (3)C71—C70—C75118.6 (3)
C18—C19—H19119.7C71—C70—P6124.1 (2)
C14—C19—H19119.7C75—C70—P6117.3 (2)
C25—C20—C21119.2 (3)C72—C71—C70120.5 (3)
C25—C20—P2116.5 (2)C72—C71—H71119.7
C21—C20—P2124.2 (2)C70—C71—H71119.7
C22—C21—C20119.7 (3)C73—C72—C71120.4 (3)
C22—C21—H21120.1C73—C72—H72119.8
C20—C21—H21120.1C71—C72—H72119.8
C23—C22—C21120.7 (3)C72—C73—C74119.8 (3)
C23—C22—H22119.6C72—C73—H73120.1
C21—C22—H22119.6C74—C73—H73120.1
C22—C23—C24119.8 (3)C75—C74—C73119.8 (3)
C22—C23—H23120.1C75—C74—H74120.1
C24—C23—H23120.1C73—C74—H74120.1
C25—C24—C23119.9 (3)C74—C75—C70120.8 (3)
C25—C24—H24120.0C74—C75—H75119.6
C23—C24—H24120.0C70—C75—H75119.6
C24—C25—C20120.6 (3)N1—C76—N2112.9 (3)
C24—C25—H25119.7N1—C76—S1127.0 (3)
C20—C25—H25119.7N2—C76—S1120.1 (3)
C31—C26—C27118.4 (3)C82—C77—C78119.7 (3)
C31—C26—P3124.4 (3)C82—C77—N1116.2 (3)
C27—C26—P3116.9 (2)C78—C77—N1124.0 (3)
C28—C27—C26120.5 (3)C79—C78—C77119.1 (3)
C28—C27—H27119.7C79—C78—H78120.4
C26—C27—H27119.7C77—C78—H78120.4
C27—C28—C29120.2 (3)C80—C79—C78121.9 (4)
C27—C28—H28119.9C80—C79—H79119.0
C29—C28—H28119.9C78—C79—H79119.0
C30—C29—C28120.1 (3)C79—C80—C81118.2 (4)
C30—C29—H29119.9C79—C80—H80120.9
C28—C29—H29119.9C81—C80—H80120.9
C29—C30—C31119.9 (3)C82—C81—C80121.1 (3)
C29—C30—H30120.1C82—C81—H81119.5
C31—C30—H30120.1C80—C81—H81119.5
C26—C31—C30120.8 (3)C81—C82—C77119.9 (3)
C26—C31—H31119.6C81—C82—H82120.0
C30—C31—H31119.6C77—C82—H82120.0
C7—P1—C1—C2110.6 (3)Ag3—P4—C45—C5074.2 (9)
C13—P1—C1—C2140.1 (3)C50—C45—C46—C472.6 (12)
Ag1—P1—C1—C216.2 (3)P4—C45—C46—C47179.1 (8)
C7—P1—C1—C676.9 (3)C45—C46—C47—C480.6 (11)
C13—P1—C1—C632.3 (3)C46—C47—C48—C492.6 (13)
Ag1—P1—C1—C6156.2 (2)C47—C48—C49—C503.7 (13)
C6—C1—C2—C32.6 (5)C48—C49—C50—C451.7 (12)
P1—C1—C2—C3170.2 (3)C46—C45—C50—C491.5 (13)
C1—C2—C3—C41.0 (5)P4—C45—C50—C49179.8 (6)
C2—C3—C4—C51.4 (5)C57—P5—C51—C5227.9 (13)
C3—C4—C5—C62.2 (5)C63—P5—C51—C5281.7 (11)
C4—C5—C6—C10.5 (5)C51B—P5—C51—C5242 (15)
C2—C1—C6—C51.9 (5)Ag3—P5—C51—C52155.9 (9)
P1—C1—C6—C5170.6 (3)C57—P5—C51—C56156.5 (10)
C1—P1—C7—C12155.8 (2)C63—P5—C51—C5693.9 (12)
C13—P1—C7—C1297.1 (2)C51B—P5—C51—C56143 (17)
Ag1—P1—C7—C1229.1 (3)Ag3—P5—C51—C5628.5 (13)
C1—P1—C7—C828.4 (3)C56—C51—C52—C530.4 (15)
C13—P1—C7—C878.7 (3)P5—C51—C52—C53176.0 (9)
Ag1—P1—C7—C8155.1 (2)C51—C52—C53—C540.2 (12)
C12—C7—C8—C90.2 (4)C52—C53—C54—C550.1 (15)
P1—C7—C8—C9175.5 (2)C53—C54—C55—C560.1 (16)
C7—C8—C9—C101.7 (5)C52—C51—C56—C550.3 (17)
C8—C9—C10—C112.5 (5)P5—C51—C56—C55176.1 (8)
C9—C10—C11—C121.3 (5)C54—C55—C56—C510.1 (15)
C10—C11—C12—C70.7 (5)C39—P4—C45B—C50B31.4 (10)
C8—C7—C12—C111.4 (4)C38—P4—C45B—C50B139.9 (9)
P1—C7—C12—C11174.5 (2)C45—P4—C45B—C50B61 (4)
C14—P2—C13—P179.14 (19)Ag3—P4—C45B—C50B97.0 (9)
C20—P2—C13—P1169.25 (16)C39—P4—C45B—C46B158.4 (8)
Ag2—P2—C13—P150.08 (18)C38—P4—C45B—C46B49.9 (9)
C7—P1—C13—P280.60 (18)C45—P4—C45B—C46B109 (5)
C1—P1—C13—P2167.12 (16)Ag3—P4—C45B—C46B73.2 (9)
Ag1—P1—C13—P244.52 (19)C50B—C45B—C46B—C47B2.3 (13)
C20—P2—C14—C19108.6 (2)P4—C45B—C46B—C47B172.5 (8)
C13—P2—C14—C19143.3 (2)C45B—C46B—C47B—C48B0.2 (11)
Ag2—P2—C14—C1915.4 (3)C46B—C47B—C48B—C49B3.0 (14)
C20—P2—C14—C1575.0 (3)C47B—C48B—C49B—C50B3.3 (14)
C13—P2—C14—C1533.2 (3)C48B—C49B—C50B—C45B0.8 (13)
Ag2—P2—C14—C15161.0 (2)C46B—C45B—C50B—C49B2.0 (14)
C19—C14—C15—C160.3 (4)P4—C45B—C50B—C49B172.2 (7)
P2—C14—C15—C16176.6 (2)C51—P5—C51B—C52B175 (17)
C14—C15—C16—C170.6 (5)C57—P5—C51B—C52B18.3 (13)
C15—C16—C17—C180.9 (5)C63—P5—C51B—C52B127.4 (11)
C16—C17—C18—C190.8 (5)Ag3—P5—C51B—C52B107.6 (10)
C17—C18—C19—C140.5 (5)C51—P5—C51B—C56B1 (14)
C15—C14—C19—C180.2 (5)C57—P5—C51B—C56B165.3 (11)
P2—C14—C19—C18176.8 (2)C63—P5—C51B—C56B56.2 (12)
C14—P2—C20—C25155.1 (2)Ag3—P5—C51B—C56B68.7 (13)
C13—P2—C20—C2593.0 (2)C56B—C51B—C52B—C53B0.6 (16)
Ag2—P2—C20—C2528.0 (3)P5—C51B—C52B—C53B176.9 (10)
C14—P2—C20—C2123.5 (3)C51B—C52B—C53B—C54B0.6 (13)
C13—P2—C20—C2188.4 (3)C52B—C53B—C54B—C55B0.2 (19)
Ag2—P2—C20—C21150.5 (3)C53B—C54B—C55B—C56B2 (2)
C25—C20—C21—C221.4 (5)C52B—C51B—C56B—C55B2.5 (18)
P2—C20—C21—C22177.1 (3)P5—C51B—C56B—C55B179.1 (8)
C20—C21—C22—C230.2 (6)C54B—C55B—C56B—C51B3.3 (16)
C21—C22—C23—C241.7 (6)C51—P5—C57—C6273.6 (6)
C22—C23—C24—C251.6 (5)C63—P5—C57—C6232.6 (3)
C23—C24—C25—C200.0 (5)C51B—P5—C57—C6274.5 (6)
C21—C20—C25—C241.6 (5)Ag3—P5—C57—C62157.8 (2)
P2—C20—C25—C24177.1 (2)C51—P5—C57—C58107.0 (6)
C32—P3—C26—C31136.6 (3)C63—P5—C57—C58146.8 (2)
C38—P3—C26—C3127.0 (3)C51B—P5—C57—C58106.0 (6)
Ag2—P3—C26—C3194.9 (3)Ag3—P5—C57—C5821.7 (3)
C32—P3—C26—C2749.5 (3)C62—C57—C58—C590.2 (4)
C38—P3—C26—C27159.2 (2)P5—C57—C58—C59179.7 (2)
Ag2—P3—C26—C2779.0 (2)C57—C58—C59—C600.7 (5)
C31—C26—C27—C281.2 (5)C58—C59—C60—C610.2 (5)
P3—C26—C27—C28175.5 (2)C59—C60—C61—C620.9 (5)
C26—C27—C28—C291.0 (5)C60—C61—C62—C571.4 (5)
C27—C28—C29—C300.0 (5)C58—C57—C62—C610.9 (4)
C28—C29—C30—C310.9 (5)P5—C57—C62—C61178.6 (2)
C27—C26—C31—C300.4 (5)C51—P5—C63—P6177.8 (4)
P3—C26—C31—C30174.2 (2)C57—P5—C63—P671.69 (19)
C29—C30—C31—C260.6 (5)C51B—P5—C63—P6178.8 (4)
C26—P3—C32—C37130.7 (3)Ag3—P5—C63—P654.00 (18)
C38—P3—C32—C37119.2 (3)C70—P6—C63—P5169.06 (16)
Ag2—P3—C32—C3711.4 (3)C64—P6—C63—P582.25 (18)
C26—P3—C32—C3344.3 (3)Ag1—P6—C63—P545.22 (19)
C38—P3—C32—C3365.8 (3)C70—P6—C64—C6930.3 (3)
Ag2—P3—C32—C33163.6 (2)C63—P6—C64—C6977.9 (3)
C37—C32—C33—C340.8 (5)Ag1—P6—C64—C69151.3 (2)
P3—C32—C33—C34174.3 (3)C70—P6—C64—C65147.9 (2)
C32—C33—C34—C350.3 (5)C63—P6—C64—C65103.8 (2)
C33—C34—C35—C360.3 (5)Ag1—P6—C64—C6527.0 (2)
C34—C35—C36—C370.5 (5)C69—C64—C65—C660.3 (4)
C35—C36—C37—C320.0 (5)P6—C64—C65—C66178.0 (2)
C33—C32—C37—C360.6 (5)C64—C65—C66—C670.0 (5)
P3—C32—C37—C36174.5 (2)C65—C66—C67—C680.5 (5)
C45B—P4—C38—P3176.8 (5)C66—C67—C68—C690.5 (5)
C39—P4—C38—P378.00 (18)C67—C68—C69—C640.1 (5)
C45—P4—C38—P3173.3 (4)C65—C64—C69—C680.3 (4)
Ag3—P4—C38—P354.69 (18)P6—C64—C69—C68177.9 (2)
C32—P3—C38—P479.67 (18)C64—P6—C70—C7180.9 (3)
C26—P3—C38—P4173.50 (15)C63—P6—C70—C7129.5 (3)
Ag2—P3—C38—P455.30 (18)Ag1—P6—C70—C71157.6 (2)
C45B—P4—C39—C4048.8 (5)C64—P6—C70—C7598.2 (2)
C38—P4—C39—C4054.2 (4)C63—P6—C70—C75151.4 (2)
C45—P4—C39—C4058.5 (5)Ag1—P6—C70—C7523.3 (2)
Ag3—P4—C39—C40174.6 (3)C75—C70—C71—C720.2 (4)
C45B—P4—C39—C44126.9 (5)P6—C70—C71—C72179.3 (2)
C38—P4—C39—C44130.1 (3)C70—C71—C72—C730.3 (4)
C45—P4—C39—C44117.2 (4)C71—C72—C73—C740.4 (4)
Ag3—P4—C39—C441.1 (3)C72—C73—C74—C751.2 (4)
C44—C39—C40—C413.0 (7)C73—C74—C75—C701.3 (4)
P4—C39—C40—C41172.6 (4)C71—C70—C75—C740.6 (4)
C39—C40—C41—C421.3 (8)P6—C70—C75—C74178.6 (2)
C40—C41—C42—C430.8 (7)C77—N1—C76—N2177.5 (3)
C41—C42—C43—C441.1 (7)C77—N1—C76—S12.8 (5)
C40—C39—C44—C432.7 (6)C76—N1—C77—C82153.3 (3)
P4—C39—C44—C43173.2 (3)C76—N1—C77—C7831.0 (5)
C42—C43—C44—C390.7 (6)C82—C77—C78—C791.3 (5)
C45B—P4—C45—C4642 (4)N1—C77—C78—C79176.9 (3)
C39—P4—C45—C46131.6 (8)C77—C78—C79—C800.7 (5)
C38—P4—C45—C4620.3 (10)C78—C79—C80—C810.3 (5)
Ag3—P4—C45—C46104.0 (8)C79—C80—C81—C820.6 (5)
C45B—P4—C45—C50140 (5)C80—C81—C82—C770.1 (5)
C39—P4—C45—C5050.1 (9)C78—C77—C82—C811.1 (5)
C38—P4—C45—C50161.5 (7)N1—C77—C82—C81176.9 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···Br30.882.463.328 (3)167
N2—H2A···Br30.882.573.390 (3)155
C6—H6···Br3i0.952.933.855 (3)166
C13—H13A···Br3i0.992.803.705 (3)152
C47—H47···S1ii0.952.813.645 (9)147
C78—H78···S10.952.703.259 (4)118
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···Br30.882.463.328 (3)167
N2—H2A···Br30.882.573.390 (3)155
C6—H6···Br3i0.952.933.855 (3)166
C13—H13A···Br3i0.992.803.705 (3)152
C47—H47···S1ii0.952.813.645 (9)147
C78—H78···S10.952.703.259 (4)118
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x+1, y+1, z+1.
 

Acknowledgements

Financial support from the Department of Chemistry, Prince of Songkla University, is gratefully acknowledged. We would like to thank Dr Matthias Zeller for valuable suggestions and assistance with the X-ray structure determination and use of structure refinement programs.

References

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Volume 71| Part 4| April 2015| Pages m89-m90
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