Literature DB >> 21201586

(μ-Diphenyl-phosphanido-κP:P')bis-[2,2'-(pyridine-2,6-diyl)diphenyl-κC,N,C)gold(III)] perchlorate acetonitrile solvate.

Xin-Sheng Li1, Juan Mo, Su-Mei Zhang, Li Yuan, Jian-Hua Liu.   

Abstract

The title complex, [Au(2)(C(17)H(11)N)(2)(C(12)H(10)P)]ClO(4)·C(2)H(3)N, contains two Au(III) atoms bridged by a diphenyl-phosphanide ligand. Each Au atom is in a square-planar environment coordinated by diphenyl-phosphanide and 2,6-diphenyl-pyridine ligands. There are weak π-π stacking inter-actions between neighbouring mol-ecules (the inter-planar separations between two neighbouring dpp units are 3.40 and 3.57 Å). The intra-molecular AuAu separation is 3.788 (5) Å. The crystal structure shows weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds involving an O atom of the perchlorate counter-ion and the N atom of the acetonitrile solvent mol-ecule, respectively.

Entities:  

Year:  2008        PMID: 21201586      PMCID: PMC2960555          DOI: 10.1107/S1600536808024537

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For related literature, see: Goshe et al. (2003 ▶); Kui et al. (2006 ▶); Li et al. (2006 ▶); Lu et al. (2004 ▶); Wong et al. (1998 ▶); Yam et al. (2002 ▶).

Experimental

Crystal data

[n class="Chemical">Au2(C17H11N)2(C12H10P)]ClO4·C2H3N M = 1178.14 Monoclinic, a = 10.0612 (16) Å b = 13.526 (2) Å c = 29.640 (5) Å β = 98.828 (4)° V = 3985.9 (11) Å3 Z = 4 Mo Kα radiation μ = 7.51 mm−1 T = 113 (2) K 0.32 × 0.22 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.147, T max = 0.221 38570 measured reflections 10221 independent reflections 8923 reflections with I > 2σ(I) R int = 0.039

Refinement

R[F 2 > 2σ(F 2)] = 0.028 wR(F 2) = 0.057 S = 1.04 10221 reflections 534 parameters H-atom parameters constrained Δρmax = 1.52 e Å−3 Δρmin = −1.55 e Å−3 Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: XP in SHELXTL. Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808024537/bx2152sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536808024537/bx2152Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Au2(C17H11N)2(C12H10P)]ClO4·C2H3NF000 = 2264
Mr = 1178.14Dx = 1.963 Mg m3
Monoclinic, P21/cMo Kα radiation λ = 0.71070 Å
Hall symbol: -P 2ybcCell parameters from 13552 reflections
a = 10.0612 (16) Åθ = 1.4–28.7º
b = 13.526 (2) ŵ = 7.51 mm1
c = 29.640 (5) ÅT = 113 (2) K
β = 98.828 (4)ºBlock, yellow
V = 3985.9 (11) Å30.32 × 0.22 × 0.20 mm
Z = 4
Bruker SMART CCD area-detector diffractometer10221 independent reflections
Radiation source: fine-focus sealed tube8923 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.039
Detector resolution: 7.31 pixels mm-1θmax = 28.7º
T = 113(2) Kθmin = 1.4º
φ and ω scansh = −13→13
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)k = −18→17
Tmin = 0.147, Tmax = 0.221l = −39→39
38570 measured reflections
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028H-atom parameters constrained
wR(F2) = 0.057  w = 1/[σ2(Fo2) + (0.0278P)2] where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.002
10221 reflectionsΔρmax = 1.52 e Å3
534 parametersΔρmin = −1.55 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
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.
xyzUiso*/Ueq
Au10.638497 (12)0.281287 (9)0.032930 (4)0.01055 (4)
Au20.566168 (12)0.331694 (9)0.152497 (4)0.00993 (4)
Cl10.78527 (10)0.29051 (6)0.29597 (3)0.01996 (19)
P10.60967 (9)0.21001 (6)0.10167 (3)0.01063 (17)
O10.6459 (3)0.3221 (3)0.29088 (12)0.0507 (9)
O20.8447 (3)0.3313 (2)0.25911 (10)0.0406 (8)
O30.7868 (3)0.18429 (18)0.29417 (10)0.0324 (7)
O50.8547 (3)0.3239 (2)0.33921 (10)0.0333 (7)
N10.6406 (3)0.33719 (18)−0.03039 (9)0.0119 (6)
N20.5487 (3)0.44270 (18)0.19785 (9)0.0125 (6)
N30.6293 (4)0.8322 (2)0.06888 (13)0.0353 (9)
C10.8332 (3)0.2378 (2)0.02273 (12)0.0134 (7)
C20.9377 (4)0.1917 (3)0.05082 (13)0.0196 (8)
H20.92680.17500.08120.024*
C31.0580 (4)0.1693 (3)0.03557 (14)0.0234 (8)
H31.12760.13720.05560.028*
C41.0781 (4)0.1929 (3)−0.00813 (14)0.0227 (8)
H41.16020.1759−0.01830.027*
C50.9785 (4)0.2413 (3)−0.03691 (13)0.0187 (8)
H50.99240.2590−0.06690.022*
C60.8559 (3)0.2646 (2)−0.02188 (12)0.0134 (7)
C70.7489 (3)0.3170 (2)−0.05110 (12)0.0131 (7)
C80.7447 (4)0.3461 (2)−0.09612 (13)0.0189 (8)
H80.81850.3328−0.11170.023*
C90.6330 (4)0.3944 (3)−0.11806 (13)0.0248 (9)
H90.62980.4134−0.14910.030*
C100.5247 (4)0.4158 (3)−0.09585 (13)0.0214 (8)
H100.44920.4511−0.11100.026*
C110.5288 (3)0.3846 (2)−0.05116 (12)0.0142 (7)
C120.4238 (3)0.3933 (2)−0.02224 (11)0.0127 (7)
C130.3035 (4)0.4442 (2)−0.03724 (12)0.0184 (7)
H130.28950.4741−0.06660.022*
C140.2057 (4)0.4508 (3)−0.00958 (13)0.0205 (8)
H140.12460.4858−0.01950.025*
C150.2268 (4)0.4059 (3)0.03288 (13)0.0207 (8)
H150.15930.41000.05200.025*
C160.3458 (4)0.3546 (2)0.04811 (12)0.0173 (7)
H160.35770.32380.07730.021*
C170.4473 (3)0.3480 (2)0.02116 (12)0.0134 (7)
C180.7480 (3)0.4054 (2)0.15075 (11)0.0134 (7)
C190.8548 (3)0.3858 (3)0.12706 (12)0.0159 (7)
H190.85150.32900.10800.019*
C200.9665 (4)0.4483 (3)0.13097 (13)0.0233 (8)
H201.03800.43320.11460.028*
C210.9750 (4)0.5317 (3)0.15812 (14)0.0232 (8)
H211.05060.57430.15990.028*
C220.8716 (4)0.5523 (3)0.18275 (12)0.0211 (8)
H220.87700.60890.20190.025*
C230.7597 (3)0.4903 (2)0.17957 (12)0.0158 (7)
C240.6487 (4)0.5093 (2)0.20564 (12)0.0154 (7)
C250.6358 (4)0.5876 (2)0.23508 (12)0.0205 (8)
H250.70510.63550.24160.025*
C260.5196 (4)0.5942 (2)0.25476 (12)0.0215 (8)
H260.50770.64870.27390.026*
C270.4211 (4)0.5227 (2)0.24684 (12)0.0188 (8)
H270.34330.52690.26130.023*
C280.4362 (3)0.4449 (2)0.21773 (11)0.0135 (7)
C290.3418 (3)0.3654 (2)0.20285 (12)0.0145 (7)
C300.2188 (4)0.3568 (3)0.22005 (13)0.0190 (8)
H300.19870.40110.24290.023*
C310.1278 (4)0.2837 (3)0.20352 (13)0.0207 (8)
H310.04630.27620.21570.025*
C320.1563 (4)0.2214 (3)0.16901 (13)0.0202 (8)
H320.09260.17270.15690.024*
C330.2777 (3)0.2295 (2)0.15193 (12)0.0171 (7)
H330.29490.18640.12820.021*
C340.3738 (3)0.2993 (2)0.16887 (11)0.0124 (7)
C350.7453 (3)0.1350 (2)0.13295 (11)0.0128 (7)
C360.7981 (3)0.1545 (2)0.17805 (12)0.0139 (7)
H360.77160.21250.19240.017*
C370.8898 (3)0.0893 (2)0.20256 (12)0.0172 (7)
H370.92380.10240.23370.021*
C380.9313 (3)0.0060 (3)0.18167 (13)0.0184 (8)
H380.9949−0.03760.19820.022*
C390.8799 (4)−0.0139 (3)0.13654 (13)0.0208 (8)
H390.9095−0.07070.12200.025*
C400.7854 (4)0.0489 (3)0.11244 (13)0.0204 (8)
H400.74760.03340.08190.024*
C410.4844 (3)0.1125 (2)0.08729 (11)0.0122 (7)
C420.4565 (4)0.0507 (2)0.12251 (13)0.0215 (8)
H420.50130.06110.15280.026*
C430.3644 (4)−0.0252 (3)0.11367 (15)0.0268 (9)
H430.3430−0.06500.13800.032*
C440.3032 (4)−0.0431 (3)0.06923 (16)0.0282 (10)
H440.2401−0.09540.06310.034*
C450.3338 (4)0.0151 (3)0.03385 (14)0.0242 (8)
H450.29400.00110.00340.029*
C460.4236 (3)0.0948 (2)0.04281 (12)0.0155 (7)
H460.44240.13610.01860.019*
C470.6302 (4)0.8197 (3)0.10658 (16)0.0301 (10)
C480.6321 (5)0.8047 (4)0.15590 (16)0.0448 (12)
H48A0.66700.86420.17250.067*
H48B0.68990.74820.16620.067*
H48C0.54050.79160.16180.067*
U11U22U33U12U13U23
Au10.01160 (7)0.01217 (6)0.00809 (6)0.00003 (5)0.00215 (5)0.00087 (4)
Au20.01163 (7)0.00982 (6)0.00834 (6)−0.00009 (5)0.00155 (5)−0.00021 (4)
Cl10.0299 (5)0.0169 (4)0.0141 (4)−0.0020 (4)0.0064 (4)−0.0008 (3)
P10.0135 (4)0.0105 (4)0.0080 (4)0.0006 (3)0.0019 (3)−0.0002 (3)
O10.036 (2)0.065 (2)0.050 (2)0.0258 (17)0.0025 (17)−0.0007 (18)
O20.068 (2)0.0353 (17)0.0223 (17)−0.0232 (16)0.0181 (17)−0.0033 (13)
O30.052 (2)0.0138 (13)0.0306 (18)−0.0011 (13)0.0035 (15)−0.0016 (11)
O50.0417 (19)0.0377 (17)0.0206 (16)−0.0132 (14)0.0046 (14)−0.0053 (13)
N10.0158 (15)0.0110 (13)0.0094 (14)−0.0019 (11)0.0036 (12)0.0016 (10)
N20.0196 (15)0.0096 (12)0.0082 (14)0.0016 (12)0.0016 (12)−0.0013 (10)
N30.052 (3)0.0319 (19)0.023 (2)−0.0020 (18)0.0084 (19)−0.0059 (15)
C10.0123 (17)0.0161 (16)0.0127 (17)−0.0003 (13)0.0049 (14)−0.0046 (13)
C20.0166 (19)0.0259 (19)0.0154 (19)0.0015 (15)−0.0007 (15)0.0031 (15)
C30.018 (2)0.030 (2)0.021 (2)0.0035 (16)−0.0010 (16)−0.0006 (16)
C40.0126 (19)0.032 (2)0.024 (2)0.0026 (16)0.0060 (16)−0.0055 (16)
C50.0176 (19)0.0222 (18)0.0174 (19)−0.0019 (15)0.0063 (15)−0.0009 (14)
C60.0142 (18)0.0123 (15)0.0136 (18)−0.0023 (13)0.0022 (14)−0.0010 (12)
C70.0164 (18)0.0111 (15)0.0122 (17)−0.0015 (13)0.0035 (14)−0.0016 (12)
C80.026 (2)0.0181 (17)0.0140 (19)0.0015 (15)0.0083 (16)0.0009 (14)
C90.032 (2)0.030 (2)0.014 (2)0.0038 (18)0.0091 (17)0.0079 (16)
C100.029 (2)0.0221 (18)0.0139 (19)0.0071 (16)0.0040 (16)0.0076 (14)
C110.0203 (18)0.0089 (15)0.0127 (18)−0.0018 (13)0.0004 (14)0.0021 (12)
C120.0162 (18)0.0103 (15)0.0111 (17)−0.0010 (13)0.0003 (14)0.0001 (12)
C130.0211 (19)0.0169 (16)0.0164 (19)−0.0007 (15)0.0002 (15)0.0039 (14)
C140.0180 (19)0.0204 (18)0.023 (2)0.0064 (15)0.0015 (16)0.0034 (15)
C150.0155 (19)0.0259 (19)0.022 (2)0.0023 (15)0.0072 (16)−0.0017 (15)
C160.0186 (19)0.0216 (17)0.0112 (18)0.0016 (15)0.0008 (14)0.0029 (13)
C170.0134 (17)0.0121 (15)0.0151 (18)0.0019 (13)0.0034 (14)0.0002 (13)
C180.0132 (17)0.0153 (16)0.0103 (17)−0.0020 (13)−0.0026 (13)0.0045 (13)
C190.0131 (17)0.0194 (17)0.0147 (18)0.0002 (14)0.0001 (14)0.0009 (14)
C200.018 (2)0.032 (2)0.020 (2)−0.0012 (17)0.0048 (16)0.0053 (16)
C210.0145 (19)0.027 (2)0.027 (2)−0.0088 (16)−0.0008 (16)0.0053 (16)
C220.028 (2)0.0164 (17)0.017 (2)−0.0059 (16)−0.0027 (16)0.0020 (14)
C230.0172 (18)0.0145 (16)0.0145 (18)−0.0003 (14)−0.0013 (14)0.0035 (13)
C240.0219 (19)0.0123 (15)0.0098 (17)−0.0021 (14)−0.0045 (14)0.0009 (12)
C250.031 (2)0.0137 (16)0.0152 (19)−0.0057 (15)−0.0004 (16)−0.0037 (13)
C260.039 (2)0.0150 (17)0.0103 (18)0.0040 (16)0.0026 (17)−0.0039 (13)
C270.026 (2)0.0168 (17)0.0143 (19)0.0075 (15)0.0049 (16)−0.0001 (13)
C280.0166 (18)0.0138 (15)0.0100 (17)0.0046 (14)0.0016 (14)0.0006 (13)
C290.0154 (18)0.0160 (16)0.0116 (17)0.0027 (14)0.0008 (14)0.0036 (13)
C300.0187 (19)0.0213 (18)0.019 (2)0.0076 (15)0.0076 (16)0.0000 (14)
C310.0130 (18)0.029 (2)0.021 (2)0.0020 (15)0.0049 (15)0.0052 (16)
C320.0130 (18)0.0248 (19)0.022 (2)−0.0003 (15)0.0016 (15)0.0050 (15)
C330.0154 (18)0.0188 (17)0.0165 (19)0.0022 (14)0.0001 (15)−0.0004 (14)
C340.0146 (17)0.0144 (15)0.0081 (16)0.0001 (13)0.0019 (13)0.0029 (12)
C350.0154 (17)0.0130 (15)0.0104 (17)0.0010 (13)0.0033 (14)0.0030 (12)
C360.0113 (17)0.0159 (16)0.0151 (18)−0.0001 (13)0.0034 (14)0.0010 (13)
C370.0122 (17)0.0244 (18)0.0143 (19)−0.0003 (14)−0.0001 (14)0.0054 (14)
C380.0141 (18)0.0191 (17)0.023 (2)0.0032 (14)0.0062 (15)0.0063 (14)
C390.025 (2)0.0153 (17)0.024 (2)0.0075 (15)0.0075 (17)−0.0007 (14)
C400.023 (2)0.0201 (18)0.017 (2)0.0035 (15)−0.0011 (15)−0.0027 (14)
C410.0136 (17)0.0104 (15)0.0131 (17)−0.0016 (13)0.0034 (14)−0.0030 (12)
C420.029 (2)0.0169 (17)0.020 (2)−0.0023 (16)0.0071 (17)0.0006 (15)
C430.031 (2)0.0155 (18)0.037 (3)−0.0063 (16)0.015 (2)0.0023 (16)
C440.022 (2)0.0159 (18)0.048 (3)−0.0069 (16)0.009 (2)−0.0033 (17)
C450.020 (2)0.0223 (19)0.028 (2)−0.0004 (16)−0.0060 (16)−0.0089 (16)
C460.0137 (18)0.0177 (16)0.0149 (18)0.0008 (14)0.0019 (14)−0.0018 (13)
C470.040 (3)0.0199 (19)0.031 (3)0.0015 (18)0.006 (2)−0.0050 (17)
C480.062 (3)0.046 (3)0.027 (3)−0.001 (3)0.008 (2)0.008 (2)
Au1—N12.027 (3)C20—C211.380 (5)
Au1—C172.105 (3)C20—H200.9500
Au1—C12.111 (3)C21—C221.388 (5)
Au1—P12.3121 (9)C21—H210.9500
Au2—N22.041 (3)C22—C231.395 (5)
Au2—C182.091 (3)C22—H220.9500
Au2—C342.113 (3)C23—C241.474 (5)
Au2—P12.3180 (8)C24—C251.391 (4)
Cl1—O21.434 (3)C25—C261.387 (5)
Cl1—O51.436 (3)C25—H250.9500
Cl1—O31.438 (3)C26—C271.378 (5)
Cl1—O11.451 (3)C26—H260.9500
P1—C411.829 (3)C27—C281.384 (4)
P1—C351.833 (3)C27—H270.9500
N1—C111.357 (4)C28—C291.458 (5)
N1—C71.358 (4)C29—C301.413 (4)
N2—C241.344 (4)C29—C341.421 (4)
N2—C281.354 (4)C30—C311.386 (5)
N3—C471.129 (5)C30—H300.9500
C1—C21.385 (5)C31—C321.389 (5)
C1—C61.423 (5)C31—H310.9500
C2—C31.389 (5)C32—C331.396 (5)
C2—H20.9500C32—H320.9500
C3—C41.379 (5)C33—C341.389 (5)
C3—H30.9500C33—H330.9500
C4—C51.379 (5)C35—C361.386 (5)
C4—H40.9500C35—C401.402 (4)
C5—C61.409 (4)C36—C371.397 (5)
C5—H50.9500C36—H360.9500
C6—C71.457 (5)C37—C381.382 (5)
C7—C81.386 (5)C37—H370.9500
C8—C91.374 (5)C38—C391.385 (5)
C8—H80.9500C38—H380.9500
C9—C101.387 (5)C39—C401.389 (5)
C9—H90.9500C39—H390.9500
C10—C111.384 (5)C40—H400.9500
C10—H100.9500C41—C461.387 (5)
C11—C121.464 (4)C41—C421.399 (4)
C12—C131.404 (5)C42—C431.382 (5)
C12—C171.412 (4)C42—H420.9500
C13—C141.377 (5)C43—C441.387 (6)
C13—H130.9500C43—H430.9500
C14—C151.384 (5)C44—C451.383 (5)
C14—H140.9500C44—H440.9500
C15—C161.397 (5)C45—C461.405 (5)
C15—H150.9500C45—H450.9500
C16—C171.392 (4)C46—H460.9500
C16—H160.9500C47—C481.473 (6)
C18—C191.397 (4)C48—H48A0.9800
C18—C231.425 (5)C48—H48B0.9800
C19—C201.397 (5)C48—H48C0.9800
C19—H190.9500
N1—Au1—C1779.97 (12)C21—C20—H20119.3
N1—Au1—C180.18 (12)C19—C20—H20119.3
C17—Au1—C1160.10 (13)C20—C21—C22119.1 (3)
N1—Au1—P1172.84 (8)C20—C21—H21120.5
C17—Au1—P195.15 (9)C22—C21—H21120.5
C1—Au1—P1104.75 (10)C21—C22—C23120.4 (3)
N2—Au2—C1880.19 (12)C21—C22—H22119.8
N2—Au2—C3480.02 (12)C23—C22—H22119.8
C18—Au2—C34160.15 (13)C22—C23—C18121.1 (3)
N2—Au2—P1173.99 (8)C22—C23—C24121.9 (3)
C18—Au2—P193.98 (9)C18—C23—C24117.1 (3)
C34—Au2—P1105.84 (9)N2—C24—C25118.6 (3)
O2—Cl1—O5110.88 (18)N2—C24—C23113.6 (3)
O2—Cl1—O3110.39 (17)C25—C24—C23127.8 (3)
O5—Cl1—O3109.96 (18)C26—C25—C24118.6 (3)
O2—Cl1—O1108.4 (2)C26—C25—H25120.7
O5—Cl1—O1109.28 (19)C24—C25—H25120.7
O3—Cl1—O1107.8 (2)C27—C26—C25120.9 (3)
C41—P1—C3598.71 (15)C27—C26—H26119.6
C41—P1—Au1105.69 (11)C25—C26—H26119.6
C35—P1—Au1119.48 (10)C26—C27—C28119.7 (3)
C41—P1—Au2118.14 (10)C26—C27—H27120.2
C35—P1—Au2105.32 (11)C28—C27—H27120.2
Au1—P1—Au2109.78 (3)N2—C28—C27117.8 (3)
C11—N1—C7123.8 (3)N2—C28—C29113.7 (3)
C11—N1—Au1118.1 (2)C27—C28—C29128.4 (3)
C7—N1—Au1117.8 (2)C30—C29—C34120.7 (3)
C24—N2—C28124.4 (3)C30—C29—C28121.2 (3)
C24—N2—Au2117.9 (2)C34—C29—C28118.1 (3)
C28—N2—Au2117.7 (2)C31—C30—C29119.9 (3)
C2—C1—C6117.3 (3)C31—C30—H30120.0
C2—C1—Au1132.4 (3)C29—C30—H30120.0
C6—C1—Au1110.3 (2)C30—C31—C32119.6 (3)
C1—C2—C3121.4 (3)C30—C31—H31120.2
C1—C2—H2119.3C32—C31—H31120.2
C3—C2—H2119.3C31—C32—C33120.7 (3)
C4—C3—C2121.1 (4)C31—C32—H32119.7
C4—C3—H3119.5C33—C32—H32119.7
C2—C3—H3119.5C34—C33—C32121.5 (3)
C5—C4—C3119.6 (3)C34—C33—H33119.3
C5—C4—H4120.2C32—C33—H33119.3
C3—C4—H4120.2C33—C34—C29117.6 (3)
C4—C5—C6120.0 (3)C33—C34—Au2132.0 (2)
C4—C5—H5120.0C29—C34—Au2110.3 (2)
C6—C5—H5120.0C36—C35—C40118.9 (3)
C5—C6—C1120.6 (3)C36—C35—P1121.9 (2)
C5—C6—C7121.5 (3)C40—C35—P1118.8 (3)
C1—C6—C7117.8 (3)C35—C36—C37120.5 (3)
N1—C7—C8118.0 (3)C35—C36—H36119.8
N1—C7—C6113.6 (3)C37—C36—H36119.8
C8—C7—C6128.4 (3)C38—C37—C36120.2 (3)
C9—C8—C7119.5 (3)C38—C37—H37119.9
C9—C8—H8120.2C36—C37—H37119.9
C7—C8—H8120.2C37—C38—C39119.9 (3)
C8—C9—C10121.3 (3)C37—C38—H38120.1
C8—C9—H9119.3C39—C38—H38120.1
C10—C9—H9119.3C38—C39—C40120.2 (3)
C11—C10—C9118.7 (3)C38—C39—H39119.9
C11—C10—H10120.7C40—C39—H39119.9
C9—C10—H10120.7C39—C40—C35120.4 (3)
N1—C11—C10118.6 (3)C39—C40—H40119.8
N1—C11—C12113.2 (3)C35—C40—H40119.8
C10—C11—C12128.1 (3)C46—C41—C42119.8 (3)
C13—C12—C17121.2 (3)C46—C41—P1122.3 (3)
C13—C12—C11121.2 (3)C42—C41—P1117.8 (3)
C17—C12—C11117.6 (3)C43—C42—C41120.6 (4)
C14—C13—C12120.2 (3)C43—C42—H42119.7
C14—C13—H13119.9C41—C42—H42119.7
C12—C13—H13119.9C42—C43—C44119.8 (4)
C13—C14—C15119.2 (3)C42—C43—H43120.1
C13—C14—H14120.4C44—C43—H43120.1
C15—C14—H14120.4C45—C44—C43120.2 (3)
C14—C15—C16121.1 (3)C45—C44—H44119.9
C14—C15—H15119.5C43—C44—H44119.9
C16—C15—H15119.5C44—C45—C46120.3 (4)
C17—C16—C15120.9 (3)C44—C45—H45119.8
C17—C16—H16119.5C46—C45—H45119.8
C15—C16—H16119.5C41—C46—C45119.3 (3)
C16—C17—C12117.4 (3)C41—C46—H46120.3
C16—C17—Au1131.6 (3)C45—C46—H46120.3
C12—C17—Au1111.0 (2)N3—C47—C48179.2 (5)
C19—C18—C23117.1 (3)C47—C48—H48A109.5
C19—C18—Au2131.7 (3)C47—C48—H48B109.5
C23—C18—Au2111.2 (2)H48A—C48—H48B109.5
C18—C19—C20120.9 (3)C47—C48—H48C109.5
C18—C19—H19119.5H48A—C48—H48C109.5
C20—C19—H19119.5H48B—C48—H48C109.5
C21—C20—C19121.4 (3)
C17—Au1—P1—C4169.65 (14)C34—Au2—C18—C233.3 (5)
C1—Au1—P1—C41−109.99 (14)P1—Au2—C18—C23179.9 (2)
C17—Au1—P1—C35179.50 (16)C23—C18—C19—C20−1.3 (5)
C1—Au1—P1—C35−0.14 (16)Au2—C18—C19—C20178.8 (3)
C17—Au1—P1—Au2−58.78 (10)C18—C19—C20—C21−0.2 (6)
C1—Au1—P1—Au2121.58 (10)C19—C20—C21—C221.4 (6)
C18—Au2—P1—C41179.02 (15)C20—C21—C22—C23−0.9 (6)
C34—Au2—P1—C41−2.15 (16)C21—C22—C23—C18−0.7 (5)
C18—Au2—P1—C3570.08 (14)C21—C22—C23—C24179.3 (3)
C34—Au2—P1—C35−111.09 (14)C19—C18—C23—C221.8 (5)
C18—Au2—P1—Au1−59.77 (9)Au2—C18—C23—C22−178.3 (3)
C34—Au2—P1—Au1119.07 (10)C19—C18—C23—C24−178.2 (3)
C17—Au1—N1—C11−2.2 (2)Au2—C18—C23—C241.7 (4)
C1—Au1—N1—C11179.3 (3)C28—N2—C24—C25−1.7 (5)
C17—Au1—N1—C7−176.2 (3)Au2—N2—C24—C25177.5 (2)
C1—Au1—N1—C75.3 (2)C28—N2—C24—C23−179.8 (3)
C18—Au2—N2—C241.2 (2)Au2—N2—C24—C23−0.6 (4)
C34—Au2—N2—C24−177.2 (3)C22—C23—C24—N2179.2 (3)
C18—Au2—N2—C28−179.5 (3)C18—C23—C24—N2−0.8 (4)
C34—Au2—N2—C282.1 (2)C22—C23—C24—C251.3 (6)
N1—Au1—C1—C2175.4 (4)C18—C23—C24—C25−178.7 (3)
C17—Au1—C1—C2171.1 (3)N2—C24—C25—C26−0.7 (5)
P1—Au1—C1—C2−9.9 (4)C23—C24—C25—C26177.0 (3)
N1—Au1—C1—C6−3.4 (2)C24—C25—C26—C272.6 (5)
C17—Au1—C1—C6−7.7 (5)C25—C26—C27—C28−2.1 (5)
P1—Au1—C1—C6171.3 (2)C24—N2—C28—C272.2 (5)
C6—C1—C2—C3−2.3 (5)Au2—N2—C28—C27−177.0 (2)
Au1—C1—C2—C3179.0 (3)C24—N2—C28—C29178.8 (3)
C1—C2—C3—C40.5 (6)Au2—N2—C28—C29−0.4 (4)
C2—C3—C4—C51.3 (6)C26—C27—C28—N2−0.2 (5)
C3—C4—C5—C6−1.3 (6)C26—C27—C28—C29−176.3 (3)
C4—C5—C6—C1−0.6 (5)N2—C28—C29—C30−179.8 (3)
C4—C5—C6—C7179.2 (3)C27—C28—C29—C30−3.6 (6)
C2—C1—C6—C52.3 (5)N2—C28—C29—C34−2.7 (4)
Au1—C1—C6—C5−178.7 (3)C27—C28—C29—C34173.5 (3)
C2—C1—C6—C7−177.5 (3)C34—C29—C30—C31−0.5 (5)
Au1—C1—C6—C71.5 (4)C28—C29—C30—C31176.6 (3)
C11—N1—C7—C8−0.3 (5)C29—C30—C31—C32−2.1 (6)
Au1—N1—C7—C8173.4 (2)C30—C31—C32—C332.2 (6)
C11—N1—C7—C6−179.5 (3)C31—C32—C33—C340.4 (6)
Au1—N1—C7—C6−5.8 (4)C32—C33—C34—C29−2.9 (5)
C5—C6—C7—N1−177.2 (3)C32—C33—C34—Au2179.1 (3)
C1—C6—C7—N12.6 (4)C30—C29—C34—C332.9 (5)
C5—C6—C7—C83.8 (5)C28—C29—C34—C33−174.2 (3)
C1—C6—C7—C8−176.5 (3)C30—C29—C34—Au2−178.7 (3)
N1—C7—C8—C90.3 (5)C28—C29—C34—Au24.2 (4)
C6—C7—C8—C9179.4 (3)N2—Au2—C34—C33174.9 (3)
C7—C8—C9—C100.9 (6)C18—Au2—C34—C33170.1 (3)
C8—C9—C10—C11−2.2 (6)P1—Au2—C34—C33−6.5 (3)
C7—N1—C11—C10−1.0 (5)N2—Au2—C34—C29−3.3 (2)
Au1—N1—C11—C10−174.6 (2)C18—Au2—C34—C29−8.1 (5)
C7—N1—C11—C12177.3 (3)P1—Au2—C34—C29175.4 (2)
Au1—N1—C11—C123.7 (4)C41—P1—C35—C36−120.8 (3)
C9—C10—C11—N12.2 (5)Au1—P1—C35—C36125.5 (2)
C9—C10—C11—C12−175.8 (3)Au2—P1—C35—C361.6 (3)
N1—C11—C12—C13177.0 (3)C41—P1—C35—C4051.5 (3)
C10—C11—C12—C13−4.9 (6)Au1—P1—C35—C40−62.2 (3)
N1—C11—C12—C17−3.5 (4)Au2—P1—C35—C40173.9 (2)
C10—C11—C12—C17174.6 (3)C40—C35—C36—C370.1 (5)
C17—C12—C13—C140.1 (5)P1—C35—C36—C37172.4 (2)
C11—C12—C13—C14179.6 (3)C35—C36—C37—C381.5 (5)
C12—C13—C14—C15−0.7 (5)C36—C37—C38—C39−1.1 (5)
C13—C14—C15—C160.4 (6)C37—C38—C39—C40−1.0 (5)
C14—C15—C16—C170.6 (6)C38—C39—C40—C352.7 (5)
C15—C16—C17—C12−1.2 (5)C36—C35—C40—C39−2.2 (5)
C15—C16—C17—Au1178.4 (3)P1—C35—C40—C39−174.7 (3)
C13—C12—C17—C160.9 (5)C35—P1—C41—C46−125.9 (3)
C11—C12—C17—C16−178.6 (3)Au1—P1—C41—C46−1.8 (3)
C13—C12—C17—Au1−178.8 (3)Au2—P1—C41—C46121.4 (3)
C11—C12—C17—Au11.7 (4)C35—P1—C41—C4250.2 (3)
N1—Au1—C17—C16−179.4 (3)Au1—P1—C41—C42174.3 (2)
C1—Au1—C17—C16−175.2 (3)Au2—P1—C41—C42−62.4 (3)
P1—Au1—C17—C165.8 (3)C46—C41—C42—C43−2.8 (5)
N1—Au1—C17—C120.2 (2)P1—C41—C42—C43−179.0 (3)
C1—Au1—C17—C124.4 (5)C41—C42—C43—C442.8 (5)
P1—Au1—C17—C12−174.6 (2)C42—C43—C44—C45−0.3 (6)
N2—Au2—C18—C19178.4 (3)C43—C44—C45—C46−2.2 (6)
C34—Au2—C18—C19−176.8 (3)C42—C41—C46—C450.4 (5)
P1—Au2—C18—C19−0.1 (3)P1—C41—C46—C45176.4 (2)
N2—Au2—C18—C23−1.5 (2)C44—C45—C46—C412.1 (5)
D—H···AD—HH···AD···AD—H···A
C21—H21···O3i0.952.463.311 (7)149
C36—H36···O20.952.573.372 (8)143
C38—H38···O2ii0.952.593.540 (5)175
C43—H43···O1iii0.952.593.517 (3)165
C46—H46···N3iv0.952.623.417 (4)142
C48—H48C···O1v0.982.543.423 (8)150
Au1—N12.027 (3)
Au1—C172.105 (3)
Au1—C12.111 (3)
Au1—P12.3121 (9)
Au2—N22.041 (3)
Au2—C182.091 (3)
Au2—C342.113 (3)
Au2—P12.3180 (8)
N1—Au1—C1779.97 (12)
N1—Au1—C180.18 (12)
C17—Au1—C1160.10 (13)
N1—Au1—P1172.84 (8)
C17—Au1—P195.15 (9)
C1—Au1—P1104.75 (10)
N2—Au2—C1880.19 (12)
N2—Au2—C3480.02 (12)
C18—Au2—C34160.15 (13)
N2—Au2—P1173.99 (8)
C18—Au2—P193.98 (9)
C34—Au2—P1105.84 (9)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
C21—H21⋯O3i0.952.463.311 (7)149
C36—H36⋯O20.952.573.372 (8)143
C38—H38⋯O2ii0.952.593.540 (5)175
C43—H43⋯O1iii0.952.593.517 (3)165
C46—H46⋯N3iv0.952.623.417 (4)142
C48—H48C⋯O1v0.982.543.423 (8)150

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .

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1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

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Authors:  Carrie Ka-Lei Li; Raymond Wai-Yin Sun; Steven Chi-Fai Kui; Nianyong Zhu; Chi-Ming Che
Journal:  Chemistry       Date:  2006-07-05       Impact factor: 5.236

3.  Solvent-induced aggregation through metal...metal/pi...pi interactions: large solvatochromism of luminescent organoplatinum(II) terpyridyl complexes.

Authors:  Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu
Journal:  J Am Chem Soc       Date:  2002-06-12       Impact factor: 15.419

4.  Structural and spectroscopic studies on Pt.Pt and pi-pi interactions in luminescent multinuclear cyclometalated platinum(II) homologues tethered by oligophosphine auxiliaries.

Authors:  Wei Lu; Michael C W Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui
Journal:  J Am Chem Soc       Date:  2004-06-23       Impact factor: 15.419

5.  Supramolecular recognition. Terpyridyl palladium and platinum molecular clefts and their association with planar platinum complexes.

Authors:  Andrew J Goshe; Ian M Steele; B Bosnich
Journal:  J Am Chem Soc       Date:  2003-01-15       Impact factor: 15.419

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