Literature DB >> 23476336

Chlorido{N-[2-(diphenyl-phosphan-yl)benzyl-idene]-2,6-diisopropyl-aniline-κP}gold(I) chloro-form 0.25-solvate.

Haleden Chiririwa1, Wade L Davis.   

Abstract

The asymmetric unit of the title compound, [AuCl(C31H32NP)]·0.25CHCl3, contains two independent complex mol-ecules and half a chloro-form solvent mol-ecule, which is disordered across an inversion center. The Au(I) ions are each coordinated in a slightly distorted linear environment, with P-Au-Cl angles of 177.20 (4) and 178.54 (4)°.

Entities:  

Year:  2012        PMID: 23476336      PMCID: PMC3588368          DOI: 10.1107/S1600536812049975

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


Related literature

For general background to gold complexes, see: Shaw (1999 ▶); Barnard et al. (2004 ▶); Nomiya et al. (2003 ▶). For applications of gold-containing drugs, see: Chiririwa et al. (2013 ▶); Fricker (1996 ▶); Cowan (1993 ▶); Parish (1992 ▶); Finkelstein et al. (1976 ▶). For the synthesis of the starting materials, see: Mogorosi et al. (2011 ▶); Uson & Laguna (1986 ▶); Reddy et al. (2002 ▶). For similar compounds, see: Chiririwa & Muller (2012 ▶); Williams et al. (2007 ▶).

Experimental

Crystal data

[AuCl(C31H32NP)]·0.25CHCl3 M = 711.81 Triclinic, a = 13.0315 (3) Å b = 13.3638 (2) Å c = 19.3489 (5) Å α = 96.358 (2)° β = 99.229 (1)° γ = 116.191 (1)° V = 2921.15 (11) Å3 Z = 4 Mo Kα radiation μ = 5.27 mm−1 T = 173 K 0.21 × 0.18 × 0.12 mm

Data collection

Bruker APEXII 4K CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.404, T max = 0.570 119407 measured reflections 11945 independent reflections 9894 reflections with I > 2σ(I) R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.030 wR(F 2) = 0.065 S = 1.09 11945 reflections 667 parameters H-atom parameters constrained Δρmax = 1.91 e Å−3 Δρmin = −1.54 e Å−3 Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT and XPREP (Bruker, 2007 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg & Putz, 2005 ▶); software used to prepare material for publication: WinGX (Farrugia, 2012) ▶. Click here for additional data file. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812049975/lh5564sup1.cif Click here for additional data file. Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812049975/lh5564Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[AuCl(C31H32NP)]·0.25CHCl3Z = 4
Mr = 711.81F(000) = 1402
Triclinic, P1Dx = 1.619 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 13.0315 (3) ÅCell parameters from 119370 reflections
b = 13.3638 (2) Åθ = 2.3–26.4°
c = 19.3489 (5) ŵ = 5.27 mm1
α = 96.358 (2)°T = 173 K
β = 99.229 (1)°Block, yellow
γ = 116.191 (1)°0.21 × 0.18 × 0.12 mm
V = 2921.15 (11) Å3
Bruker APEXII 4K CCD diffractometer11945 independent reflections
Radiation source: fine-focus sealed tube9894 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.053
Detector resolution: 0 pixels mm-1θmax = 26.4°, θmin = 1.8°
0.5° ω scans, 20sh = −16→16
Absorption correction: multi-scan (SADABS; Bruker, 2007)k = −16→16
Tmin = 0.404, Tmax = 0.570l = −24→24
119407 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.065H-atom parameters constrained
S = 1.09w = 1/[σ2(Fo2) + (0.0042P)2 + 7.7368P] where P = (Fo2 + 2Fc2)/3
11945 reflections(Δ/σ)max = 0.001
667 parametersΔρmax = 1.91 e Å3
0 restraintsΔρmin = −1.54 e Å3
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*/UeqOcc. (<1)
Au1A0.261779 (14)−0.032391 (14)−0.065469 (8)0.03058 (5)
Cl1A0.21007 (11)−0.10467 (11)−0.18529 (6)0.0472 (3)
P1A0.31961 (9)0.03622 (9)0.05254 (5)0.0273 (2)
N1A0.3385 (3)0.3431 (3)−0.0152 (2)0.0425 (10)
C1A0.2277 (4)0.3255 (4)−0.0571 (2)0.0371 (10)
C2A0.2036 (4)0.2940 (4)−0.1316 (2)0.0364 (10)
C3A0.1033 (4)0.2912 (4)−0.1706 (3)0.0453 (12)
H3A0.08570.2723−0.22140.054*
C4A0.0285 (5)0.3153 (5)−0.1376 (3)0.0545 (14)
H4A−0.03950.3134−0.16560.065*
C5A0.0515 (5)0.3418 (5)−0.0643 (3)0.0545 (14)
H5A−0.00170.3567−0.04200.065*
C6A0.1513 (4)0.3473 (5)−0.0222 (3)0.0516 (13)
C7A0.2839 (5)0.2630 (6)−0.1691 (3)0.0581 (15)
H7A0.32120.2312−0.13480.070*
C8A0.3811 (7)0.3648 (6)−0.1823 (5)0.109 (3)
H8AA0.43060.3420−0.20600.163*
H8AB0.42840.4175−0.13660.163*
H8AC0.34860.4027−0.21290.163*
C9A0.2199 (7)0.1711 (6)−0.2367 (4)0.101 (3)
H9AA0.15520.1052−0.22660.152*
H9AB0.27490.1478−0.25320.152*
H9AC0.18830.2009−0.27390.152*
C10A0.1770 (6)0.3745 (7)0.0610 (3)0.088 (2)
H10A0.22040.33340.07920.106*
C11A0.2554 (10)0.4963 (9)0.0867 (5)0.182 (6)
H11D0.32560.51830.06740.273*
H11E0.27860.51310.13910.273*
H11F0.21450.53910.07100.273*
C12A0.0687 (8)0.3357 (7)0.0899 (4)0.100 (3)
H12D0.01560.25500.06880.150*
H12E0.02880.38090.07780.150*
H12F0.09080.34580.14200.150*
C13A0.3428 (4)0.2607 (4)0.0059 (2)0.0348 (10)
H13A0.27350.1893−0.00620.042*
C14A0.4531 (3)0.2695 (4)0.0498 (2)0.0280 (9)
C15A0.4521 (3)0.1752 (3)0.0765 (2)0.0267 (9)
C16A0.5551 (3)0.1859 (4)0.1187 (2)0.0307 (9)
H16A0.55480.12300.13740.037*
C17A0.6582 (4)0.2884 (4)0.1334 (2)0.0371 (11)
H17A0.72820.29530.16210.044*
C18A0.6599 (4)0.3801 (4)0.1066 (3)0.0417 (11)
H18A0.73080.44980.11640.050*
C19A0.5574 (4)0.3704 (4)0.0651 (2)0.0359 (10)
H19A0.55880.43400.04690.043*
C20A0.2136 (3)0.0562 (3)0.0959 (2)0.0288 (9)
C21A0.0961 (4)−0.0217 (4)0.0732 (2)0.0375 (11)
H21A0.0700−0.08280.03370.045*
C22A0.0160 (4)−0.0103 (4)0.1083 (3)0.0446 (12)
H22A−0.0651−0.06400.09280.054*
C23A0.0530 (4)0.0783 (4)0.1654 (3)0.0428 (12)
H23A−0.00250.08570.18910.051*
C24A0.1711 (4)0.1566 (4)0.1885 (2)0.0371 (10)
H24A0.19700.21760.22820.045*
C25A0.2513 (4)0.1454 (4)0.1533 (2)0.0322 (10)
H25A0.33230.19920.16870.039*
C26A0.3579 (3)−0.0571 (3)0.0989 (2)0.0290 (9)
C27A0.4052 (5)−0.1184 (4)0.0658 (3)0.0465 (12)
H27A0.4157−0.11160.01870.056*
C28A0.4372 (6)−0.1890 (5)0.0999 (3)0.0604 (16)
H28A0.4719−0.22870.07710.073*
C29A0.4188 (5)−0.2016 (4)0.1671 (3)0.0534 (14)
H29A0.4393−0.25150.19030.064*
C30A0.3709 (4)−0.1429 (4)0.2010 (3)0.0461 (12)
H30A0.3582−0.15230.24740.055*
C31A0.3413 (4)−0.0699 (4)0.1674 (2)0.0402 (11)
H31A0.3095−0.02820.19120.048*
Au1B0.513749 (14)0.777609 (13)0.449875 (8)0.02904 (5)
Cl1B0.50551 (13)0.74084 (11)0.33113 (6)0.0508 (3)
P1B0.52319 (9)0.81829 (9)0.56620 (5)0.0251 (2)
N1B0.1566 (3)0.5623 (3)0.4766 (2)0.0439 (10)
C1B0.1405 (4)0.4560 (4)0.4387 (2)0.0387 (11)
C2B0.0953 (4)0.4264 (4)0.3643 (2)0.0385 (11)
C3B0.0748 (4)0.3211 (4)0.3282 (3)0.0420 (12)
H3B0.04500.30020.27780.050*
C4B0.0964 (5)0.2467 (4)0.3637 (3)0.0533 (14)
H4B0.08220.17530.33800.064*
C5B0.1392 (5)0.2762 (4)0.4374 (3)0.0544 (14)
H5B0.15380.22400.46150.065*
C6B0.1614 (4)0.3803 (4)0.4770 (2)0.0452 (13)
C7B0.0733 (4)0.5084 (4)0.3238 (3)0.0469 (12)
H7B0.07490.56960.35950.056*
C8B−0.0477 (5)0.4502 (5)0.2709 (4)0.079 (2)
H8BA−0.05840.50620.24600.118*
H8BB−0.10960.41880.29700.118*
H8BC−0.05230.38860.23590.118*
C9B0.1719 (5)0.5645 (5)0.2862 (3)0.0637 (16)
H9BA0.15730.61760.26020.096*
H9BB0.17470.50590.25250.096*
H9BC0.24710.60620.32170.096*
C10B0.1994 (5)0.4048 (4)0.5582 (3)0.0537 (14)
H10B0.24250.48930.57570.064*
C11B0.2786 (6)0.3564 (9)0.5861 (4)0.124 (4)
H11A0.34930.38720.56710.185*
H11B0.23680.27330.57100.185*
H11C0.30120.37730.63850.185*
C12B0.0944 (6)0.3580 (8)0.5893 (3)0.093 (3)
H12A0.11980.37510.64160.140*
H12B0.04990.27530.57190.140*
H12C0.04420.39280.57480.140*
C13B0.2586 (3)0.6349 (4)0.5107 (2)0.0300 (9)
H13B0.32280.62030.50700.036*
C14B0.2817 (3)0.7428 (4)0.5567 (2)0.0285 (9)
C15B0.3963 (3)0.8319 (3)0.5849 (2)0.0255 (9)
C16B0.4137 (4)0.9304 (4)0.6290 (2)0.0358 (10)
H16B0.49130.99100.64750.043*
C17B0.3193 (4)0.9413 (5)0.6464 (3)0.0498 (13)
H17B0.33191.00870.67650.060*
C18B0.2073 (4)0.8532 (5)0.6193 (3)0.0522 (14)
H18B0.14240.85980.63140.063*
C19B0.1877 (4)0.7551 (4)0.5748 (2)0.0408 (11)
H19B0.10960.69560.55620.049*
C20B0.5325 (4)0.7150 (3)0.6169 (2)0.0303 (9)
C21B0.5863 (4)0.6517 (4)0.5954 (3)0.0472 (12)
H21B0.61470.66010.55300.057*
C22B0.5986 (5)0.5763 (5)0.6355 (3)0.0583 (15)
H22B0.63600.53350.62060.070*
C23B0.5574 (5)0.5629 (4)0.6964 (3)0.0538 (14)
H23B0.56590.51070.72340.065*
C24B0.5036 (4)0.6251 (4)0.7184 (3)0.0441 (12)
H24B0.47520.61570.76070.053*
C25B0.4908 (4)0.7011 (4)0.6794 (2)0.0335 (10)
H25B0.45370.74380.69490.040*
C26B0.6515 (3)0.9531 (3)0.6079 (2)0.0259 (9)
C27B0.6739 (4)1.0461 (4)0.5752 (2)0.0360 (10)
H27B0.62221.03760.53180.043*
C28B0.7708 (4)1.1509 (4)0.6056 (2)0.0392 (11)
H28B0.78451.21440.58360.047*
C29B0.8472 (4)1.1626 (4)0.6678 (2)0.0376 (11)
H29B0.91381.23430.68860.045*
C30B0.8276 (4)1.0710 (4)0.7001 (2)0.0380 (11)
H30B0.88121.07950.74260.046*
C31B0.7295 (4)0.9662 (4)0.6705 (2)0.0324 (10)
H31B0.71570.90340.69320.039*
Cl40.0094 (7)−0.0310 (5)0.4177 (3)0.125 (2)0.50
Cl3−0.0785 (7)0.0091 (5)0.5291 (5)0.152 (3)0.50
Cl20.1757 (5)0.0690 (5)0.5517 (5)0.196 (4)0.50
C320.0374 (12)−0.0182 (11)0.5187 (8)0.073 (4)0.50
H320.0202−0.09460.52970.087*0.50
U11U22U33U12U13U23
Au1A0.03151 (9)0.03684 (10)0.02132 (9)0.01715 (8)0.00154 (7)−0.00024 (7)
Cl1A0.0554 (7)0.0701 (8)0.0226 (6)0.0421 (7)−0.0012 (5)−0.0063 (5)
P1A0.0270 (5)0.0312 (6)0.0202 (5)0.0126 (5)0.0029 (4)0.0010 (4)
N1A0.040 (2)0.040 (2)0.041 (2)0.0153 (19)0.0033 (18)0.0086 (19)
C1A0.033 (2)0.040 (3)0.037 (3)0.019 (2)0.001 (2)0.008 (2)
C2A0.036 (2)0.043 (3)0.031 (2)0.018 (2)0.0076 (19)0.013 (2)
C3A0.047 (3)0.051 (3)0.033 (3)0.020 (2)0.000 (2)0.014 (2)
C4A0.048 (3)0.066 (4)0.052 (3)0.035 (3)−0.006 (3)0.010 (3)
C5A0.046 (3)0.067 (4)0.058 (4)0.038 (3)0.008 (3)0.002 (3)
C6A0.046 (3)0.066 (4)0.041 (3)0.032 (3)−0.001 (2)−0.005 (3)
C7A0.051 (3)0.102 (5)0.029 (3)0.040 (3)0.012 (2)0.018 (3)
C8A0.112 (6)0.069 (5)0.141 (7)0.025 (4)0.089 (6)−0.007 (5)
C9A0.109 (6)0.065 (4)0.125 (7)0.030 (4)0.064 (5)−0.008 (4)
C10A0.078 (5)0.143 (7)0.056 (4)0.079 (5)−0.006 (3)−0.026 (4)
C11A0.185 (11)0.134 (9)0.090 (7)−0.037 (8)0.057 (7)−0.044 (6)
C12A0.145 (8)0.095 (6)0.063 (5)0.053 (5)0.036 (5)0.022 (4)
C13A0.050 (3)0.038 (3)0.024 (2)0.025 (2)0.012 (2)0.0074 (19)
C14A0.029 (2)0.037 (2)0.021 (2)0.0189 (19)0.0047 (17)0.0045 (18)
C15A0.028 (2)0.034 (2)0.019 (2)0.0159 (18)0.0058 (16)0.0006 (17)
C16A0.029 (2)0.035 (2)0.029 (2)0.0179 (19)0.0021 (18)0.0051 (19)
C17A0.023 (2)0.040 (3)0.040 (3)0.013 (2)−0.0037 (19)−0.002 (2)
C18A0.031 (2)0.034 (3)0.048 (3)0.008 (2)0.003 (2)0.001 (2)
C19A0.041 (3)0.031 (2)0.036 (3)0.018 (2)0.007 (2)0.0038 (19)
C20A0.028 (2)0.032 (2)0.026 (2)0.0142 (19)0.0024 (17)0.0091 (18)
C21A0.032 (2)0.040 (3)0.034 (3)0.013 (2)0.0037 (19)0.005 (2)
C22A0.027 (2)0.054 (3)0.046 (3)0.012 (2)0.008 (2)0.015 (2)
C23A0.040 (3)0.060 (3)0.047 (3)0.032 (3)0.023 (2)0.025 (3)
C24A0.041 (3)0.043 (3)0.034 (3)0.024 (2)0.012 (2)0.008 (2)
C25A0.028 (2)0.038 (2)0.029 (2)0.0146 (19)0.0076 (18)0.0051 (19)
C26A0.029 (2)0.033 (2)0.022 (2)0.0144 (19)0.0015 (17)0.0008 (17)
C27A0.063 (3)0.059 (3)0.030 (3)0.038 (3)0.017 (2)0.009 (2)
C28A0.098 (5)0.073 (4)0.045 (3)0.067 (4)0.024 (3)0.018 (3)
C29A0.084 (4)0.052 (3)0.039 (3)0.047 (3)0.008 (3)0.010 (2)
C30A0.063 (3)0.049 (3)0.032 (3)0.030 (3)0.012 (2)0.010 (2)
C31A0.057 (3)0.046 (3)0.025 (2)0.031 (2)0.009 (2)0.005 (2)
Au1B0.03466 (10)0.03069 (9)0.02350 (9)0.01670 (8)0.00744 (7)0.00507 (7)
Cl1B0.0784 (9)0.0528 (7)0.0262 (6)0.0337 (7)0.0169 (6)0.0079 (5)
P1B0.0259 (5)0.0279 (5)0.0226 (5)0.0135 (4)0.0054 (4)0.0060 (4)
N1B0.026 (2)0.055 (3)0.038 (2)0.0140 (19)0.0013 (17)−0.0079 (19)
C1B0.021 (2)0.039 (3)0.038 (3)0.0006 (19)0.0084 (19)−0.003 (2)
C2B0.024 (2)0.043 (3)0.034 (3)0.006 (2)0.0034 (19)−0.001 (2)
C3B0.034 (3)0.041 (3)0.033 (3)0.004 (2)0.008 (2)−0.001 (2)
C4B0.056 (3)0.037 (3)0.043 (3)0.002 (2)0.013 (3)−0.003 (2)
C5B0.060 (3)0.040 (3)0.043 (3)0.005 (3)0.014 (3)0.010 (2)
C6B0.039 (3)0.040 (3)0.031 (3)−0.002 (2)0.009 (2)−0.001 (2)
C7B0.037 (3)0.051 (3)0.039 (3)0.017 (2)−0.003 (2)−0.008 (2)
C8B0.055 (4)0.072 (4)0.083 (5)0.028 (3)−0.029 (3)−0.009 (4)
C9B0.069 (4)0.068 (4)0.065 (4)0.036 (3)0.023 (3)0.023 (3)
C10B0.064 (4)0.037 (3)0.034 (3)0.003 (3)0.009 (2)0.006 (2)
C11B0.068 (5)0.260 (12)0.049 (4)0.099 (6)−0.007 (3)−0.011 (5)
C12B0.077 (5)0.190 (8)0.050 (4)0.086 (5)0.031 (3)0.040 (5)
C13B0.023 (2)0.036 (2)0.027 (2)0.0100 (19)0.0042 (17)0.0094 (18)
C14B0.028 (2)0.036 (2)0.024 (2)0.0171 (19)0.0051 (17)0.0071 (18)
C15B0.025 (2)0.031 (2)0.022 (2)0.0135 (18)0.0048 (16)0.0084 (17)
C16B0.032 (2)0.035 (2)0.036 (3)0.014 (2)0.0080 (19)0.001 (2)
C17B0.046 (3)0.054 (3)0.050 (3)0.027 (3)0.013 (2)−0.006 (3)
C18B0.035 (3)0.067 (4)0.057 (3)0.028 (3)0.015 (2)−0.004 (3)
C19B0.026 (2)0.052 (3)0.040 (3)0.017 (2)0.005 (2)0.006 (2)
C20B0.029 (2)0.028 (2)0.032 (2)0.0123 (18)0.0034 (18)0.0096 (18)
C21B0.051 (3)0.057 (3)0.053 (3)0.037 (3)0.019 (2)0.023 (3)
C22B0.065 (4)0.058 (3)0.079 (4)0.046 (3)0.022 (3)0.031 (3)
C23B0.053 (3)0.046 (3)0.065 (4)0.023 (3)0.006 (3)0.030 (3)
C24B0.046 (3)0.038 (3)0.037 (3)0.009 (2)0.004 (2)0.015 (2)
C25B0.033 (2)0.030 (2)0.034 (2)0.0118 (19)0.0065 (19)0.0083 (19)
C26B0.022 (2)0.030 (2)0.025 (2)0.0108 (17)0.0065 (16)0.0069 (17)
C27B0.030 (2)0.038 (3)0.029 (2)0.010 (2)−0.0046 (18)0.008 (2)
C28B0.037 (3)0.035 (3)0.038 (3)0.010 (2)0.003 (2)0.013 (2)
C29B0.027 (2)0.036 (3)0.037 (3)0.004 (2)0.0041 (19)0.006 (2)
C30B0.033 (2)0.043 (3)0.028 (2)0.011 (2)−0.0031 (19)0.008 (2)
C31B0.031 (2)0.036 (2)0.029 (2)0.013 (2)0.0077 (18)0.0131 (19)
Cl40.197 (7)0.065 (3)0.110 (4)0.052 (4)0.059 (4)0.022 (3)
Cl30.184 (8)0.077 (4)0.261 (9)0.082 (5)0.144 (7)0.060 (6)
Cl20.116 (4)0.081 (3)0.322 (10)0.014 (3)−0.059 (5)0.076 (5)
C320.079 (9)0.068 (9)0.101 (11)0.045 (7)0.049 (9)0.044 (8)
Au1A—P1A2.2354 (10)P1B—C26B1.811 (4)
Au1A—Cl1A2.2783 (11)P1B—C20B1.814 (4)
P1A—C26A1.807 (4)P1B—C15B1.828 (4)
P1A—C20A1.824 (4)N1B—C13B1.258 (5)
P1A—C15A1.835 (4)N1B—C1B1.435 (6)
N1A—C13A1.236 (6)C1B—C2B1.404 (6)
N1A—C1A1.442 (6)C1B—C6B1.411 (7)
C1A—C2A1.399 (6)C2B—C3B1.389 (7)
C1A—C6A1.400 (7)C2B—C7B1.514 (7)
C2A—C3A1.383 (6)C3B—C4B1.369 (7)
C2A—C7A1.534 (7)C3B—H3B0.9500
C3A—C4A1.377 (7)C4B—C5B1.388 (7)
C3A—H3A0.9500C4B—H4B0.9500
C4A—C5A1.373 (7)C5B—C6B1.395 (7)
C4A—H4A0.9500C5B—H5B0.9500
C5A—C6A1.387 (7)C6B—C10B1.520 (7)
C5A—H5A0.9500C7B—C9B1.520 (7)
C6A—C10A1.558 (8)C7B—C8B1.538 (7)
C7A—C8A1.476 (8)C7B—H7B1.0000
C7A—C9A1.518 (9)C8B—H8BA0.9800
C7A—H7A1.0000C8B—H8BB0.9800
C8A—H8AA0.9800C8B—H8BC0.9800
C8A—H8AB0.9800C9B—H9BA0.9800
C8A—H8AC0.9800C9B—H9BB0.9800
C9A—H9AA0.9800C9B—H9BC0.9800
C9A—H9AB0.9800C10B—C12B1.490 (8)
C9A—H9AC0.9800C10B—C11B1.504 (9)
C10A—C11A1.460 (11)C10B—H10B1.0000
C10A—C12A1.499 (10)C11B—H11A0.9800
C10A—H10A1.0000C11B—H11B0.9800
C11A—H11D0.9800C11B—H11C0.9800
C11A—H11E0.9800C12B—H12A0.9800
C11A—H11F0.9800C12B—H12B0.9800
C12A—H12D0.9800C12B—H12C0.9800
C12A—H12E0.9800C13B—C14B1.487 (6)
C12A—H12F0.9800C13B—H13B0.9500
C13A—C14A1.497 (6)C14B—C19B1.396 (6)
C13A—H13A0.9500C14B—C15B1.404 (6)
C14A—C19A1.385 (6)C15B—C16B1.392 (6)
C14A—C15A1.409 (6)C16B—C17B1.388 (6)
C15A—C16A1.393 (5)C16B—H16B0.9500
C16A—C17A1.390 (6)C17B—C18B1.376 (7)
C16A—H16A0.9500C17B—H17B0.9500
C17A—C18A1.375 (6)C18B—C19B1.382 (7)
C17A—H17A0.9500C18B—H18B0.9500
C18A—C19A1.387 (6)C19B—H19B0.9500
C18A—H18A0.9500C20B—C21B1.385 (6)
C19A—H19A0.9500C20B—C25B1.401 (6)
C20A—C21A1.378 (6)C21B—C22B1.386 (7)
C20A—C25A1.383 (6)C21B—H21B0.9500
C21A—C22A1.385 (6)C22B—C23B1.369 (8)
C21A—H21A0.9500C22B—H22B0.9500
C22A—C23A1.375 (7)C23B—C24B1.376 (7)
C22A—H22A0.9500C23B—H23B0.9500
C23A—C24A1.385 (6)C24B—C25B1.382 (6)
C23A—H23A0.9500C24B—H24B0.9500
C24A—C25A1.386 (6)C25B—H25B0.9500
C24A—H24A0.9500C26B—C31B1.391 (6)
C25A—H25A0.9500C26B—C27B1.394 (6)
C26A—C27A1.384 (6)C27B—C28B1.385 (6)
C26A—C31A1.393 (6)C27B—H27B0.9500
C27A—C28A1.377 (7)C28B—C29B1.380 (6)
C27A—H27A0.9500C28B—H28B0.9500
C28A—C29A1.375 (7)C29B—C30B1.378 (6)
C28A—H28A0.9500C29B—H29B0.9500
C29A—C30A1.373 (7)C30B—C31B1.390 (6)
C29A—H29A0.9500C30B—H30B0.9500
C30A—C31A1.383 (6)C31B—H31B0.9500
C30A—H30A0.9500Cl4—C321.903 (16)
C31A—H31A0.9500Cl3—C321.739 (14)
Au1B—P1B2.2267 (10)Cl2—C321.621 (15)
Au1B—Cl1B2.2707 (11)C32—H321.0000
P1A—Au1A—Cl1A177.20 (4)C20B—P1B—C15B104.38 (19)
C26A—P1A—C20A105.25 (19)C26B—P1B—Au1B110.11 (13)
C26A—P1A—C15A105.82 (19)C20B—P1B—Au1B115.53 (15)
C20A—P1A—C15A105.36 (18)C15B—P1B—Au1B113.46 (13)
C26A—P1A—Au1A110.70 (13)C13B—N1B—C1B118.3 (4)
C20A—P1A—Au1A116.83 (13)C2B—C1B—C6B121.7 (4)
C15A—P1A—Au1A112.07 (13)C2B—C1B—N1B118.4 (5)
C13A—N1A—C1A117.9 (4)C6B—C1B—N1B119.8 (4)
C2A—C1A—C6A122.2 (4)C3B—C2B—C1B118.3 (5)
C2A—C1A—N1A118.8 (4)C3B—C2B—C7B120.6 (4)
C6A—C1A—N1A118.9 (4)C1B—C2B—C7B121.1 (4)
C3A—C2A—C1A117.3 (4)C4B—C3B—C2B121.5 (5)
C3A—C2A—C7A120.9 (4)C4B—C3B—H3B119.3
C1A—C2A—C7A121.9 (4)C2B—C3B—H3B119.3
C4A—C3A—C2A121.4 (5)C3B—C4B—C5B119.7 (5)
C4A—C3A—H3A119.3C3B—C4B—H4B120.2
C2A—C3A—H3A119.3C5B—C4B—H4B120.2
C5A—C4A—C3A120.4 (5)C4B—C5B—C6B121.9 (5)
C5A—C4A—H4A119.8C4B—C5B—H5B119.0
C3A—C4A—H4A119.8C6B—C5B—H5B119.0
C4A—C5A—C6A120.9 (5)C5B—C6B—C1B117.0 (4)
C4A—C5A—H5A119.6C5B—C6B—C10B119.8 (5)
C6A—C5A—H5A119.6C1B—C6B—C10B123.1 (5)
C5A—C6A—C1A117.7 (5)C2B—C7B—C9B109.8 (4)
C5A—C6A—C10A121.4 (5)C2B—C7B—C8B112.1 (4)
C1A—C6A—C10A120.9 (4)C9B—C7B—C8B111.4 (5)
C8A—C7A—C9A111.3 (5)C2B—C7B—H7B107.8
C8A—C7A—C2A111.7 (5)C9B—C7B—H7B107.8
C9A—C7A—C2A114.4 (5)C8B—C7B—H7B107.8
C8A—C7A—H7A106.3C7B—C8B—H8BA109.5
C9A—C7A—H7A106.3C7B—C8B—H8BB109.5
C2A—C7A—H7A106.3H8BA—C8B—H8BB109.5
C7A—C8A—H8AA109.5C7B—C8B—H8BC109.5
C7A—C8A—H8AB109.5H8BA—C8B—H8BC109.5
H8AA—C8A—H8AB109.5H8BB—C8B—H8BC109.5
C7A—C8A—H8AC109.5C7B—C9B—H9BA109.5
H8AA—C8A—H8AC109.5C7B—C9B—H9BB109.5
H8AB—C8A—H8AC109.5H9BA—C9B—H9BB109.5
C7A—C9A—H9AA109.5C7B—C9B—H9BC109.5
C7A—C9A—H9AB109.5H9BA—C9B—H9BC109.5
H9AA—C9A—H9AB109.5H9BB—C9B—H9BC109.5
C7A—C9A—H9AC109.5C12B—C10B—C11B107.9 (5)
H9AA—C9A—H9AC109.5C12B—C10B—C6B110.2 (5)
H9AB—C9A—H9AC109.5C11B—C10B—C6B114.0 (5)
C11A—C10A—C12A111.7 (7)C12B—C10B—H10B108.2
C11A—C10A—C6A108.8 (7)C11B—C10B—H10B108.2
C12A—C10A—C6A114.0 (5)C6B—C10B—H10B108.2
C11A—C10A—H10A107.4C10B—C11B—H11A109.5
C12A—C10A—H10A107.4C10B—C11B—H11B109.5
C6A—C10A—H10A107.4H11A—C11B—H11B109.5
C10A—C11A—H11D109.5C10B—C11B—H11C109.5
C10A—C11A—H11E109.5H11A—C11B—H11C109.5
H11D—C11A—H11E109.5H11B—C11B—H11C109.5
C10A—C11A—H11F109.5C10B—C12B—H12A109.5
H11D—C11A—H11F109.5C10B—C12B—H12B109.5
H11E—C11A—H11F109.5H12A—C12B—H12B109.5
C10A—C12A—H12D109.5C10B—C12B—H12C109.5
C10A—C12A—H12E109.5H12A—C12B—H12C109.5
H12D—C12A—H12E109.5H12B—C12B—H12C109.5
C10A—C12A—H12F109.5N1B—C13B—C14B121.9 (4)
H12D—C12A—H12F109.5N1B—C13B—H13B119.1
H12E—C12A—H12F109.5C14B—C13B—H13B119.1
N1A—C13A—C14A122.4 (4)C19B—C14B—C15B118.7 (4)
N1A—C13A—H13A118.8C19B—C14B—C13B119.6 (4)
C14A—C13A—H13A118.8C15B—C14B—C13B121.7 (4)
C19A—C14A—C15A119.1 (4)C16B—C15B—C14B119.7 (4)
C19A—C14A—C13A120.5 (4)C16B—C15B—P1B119.6 (3)
C15A—C14A—C13A120.4 (4)C14B—C15B—P1B120.6 (3)
C16A—C15A—C14A119.5 (4)C17B—C16B—C15B120.9 (4)
C16A—C15A—P1A119.3 (3)C17B—C16B—H16B119.6
C14A—C15A—P1A121.1 (3)C15B—C16B—H16B119.6
C17A—C16A—C15A120.0 (4)C18B—C17B—C16B119.2 (5)
C17A—C16A—H16A120.0C18B—C17B—H17B120.4
C15A—C16A—H16A120.0C16B—C17B—H17B120.4
C18A—C17A—C16A120.6 (4)C17B—C18B—C19B120.9 (4)
C18A—C17A—H17A119.7C17B—C18B—H18B119.5
C16A—C17A—H17A119.7C19B—C18B—H18B119.5
C17A—C18A—C19A119.7 (4)C18B—C19B—C14B120.6 (4)
C17A—C18A—H18A120.1C18B—C19B—H19B119.7
C19A—C18A—H18A120.1C14B—C19B—H19B119.7
C14A—C19A—C18A121.1 (4)C21B—C20B—C25B119.0 (4)
C14A—C19A—H19A119.5C21B—C20B—P1B119.6 (3)
C18A—C19A—H19A119.5C25B—C20B—P1B121.4 (3)
C21A—C20A—C25A120.0 (4)C20B—C21B—C22B120.1 (5)
C21A—C20A—P1A119.4 (3)C20B—C21B—H21B119.9
C25A—C20A—P1A120.4 (3)C22B—C21B—H21B119.9
C20A—C21A—C22A119.7 (4)C23B—C22B—C21B120.6 (5)
C20A—C21A—H21A120.1C23B—C22B—H22B119.7
C22A—C21A—H21A120.1C21B—C22B—H22B119.7
C23A—C22A—C21A120.4 (4)C22B—C23B—C24B120.0 (5)
C23A—C22A—H22A119.8C22B—C23B—H23B120.0
C21A—C22A—H22A119.8C24B—C23B—H23B120.0
C22A—C23A—C24A120.1 (4)C23B—C24B—C25B120.4 (5)
C22A—C23A—H23A120.0C23B—C24B—H24B119.8
C24A—C23A—H23A120.0C25B—C24B—H24B119.8
C23A—C24A—C25A119.5 (4)C24B—C25B—C20B120.0 (4)
C23A—C24A—H24A120.3C24B—C25B—H25B120.0
C25A—C24A—H24A120.3C20B—C25B—H25B120.0
C20A—C25A—C24A120.2 (4)C31B—C26B—C27B119.0 (4)
C20A—C25A—H25A119.9C31B—C26B—P1B122.2 (3)
C24A—C25A—H25A119.9C27B—C26B—P1B118.8 (3)
C27A—C26A—C31A118.5 (4)C28B—C27B—C26B120.6 (4)
C27A—C26A—P1A119.4 (3)C28B—C27B—H27B119.7
C31A—C26A—P1A122.1 (3)C26B—C27B—H27B119.7
C28A—C27A—C26A121.1 (4)C29B—C28B—C27B119.7 (4)
C28A—C27A—H27A119.5C29B—C28B—H28B120.2
C26A—C27A—H27A119.5C27B—C28B—H28B120.2
C29A—C28A—C27A119.6 (5)C30B—C29B—C28B120.5 (4)
C29A—C28A—H28A120.2C30B—C29B—H29B119.7
C27A—C28A—H28A120.2C28B—C29B—H29B119.7
C30A—C29A—C28A120.6 (5)C29B—C30B—C31B120.0 (4)
C30A—C29A—H29A119.7C29B—C30B—H30B120.0
C28A—C29A—H29A119.7C31B—C30B—H30B120.0
C29A—C30A—C31A119.8 (5)C30B—C31B—C26B120.2 (4)
C29A—C30A—H30A120.1C30B—C31B—H31B119.9
C31A—C30A—H30A120.1C26B—C31B—H31B119.9
C30A—C31A—C26A120.4 (4)Cl2—C32—Cl3125.5 (10)
C30A—C31A—H31A119.8Cl2—C32—Cl4107.2 (9)
C26A—C31A—H31A119.8Cl3—C32—Cl495.9 (7)
P1B—Au1B—Cl1B178.54 (4)Cl2—C32—H32108.9
C26B—P1B—C20B106.29 (19)Cl3—C32—H32108.9
C26B—P1B—C15B106.40 (18)Cl4—C32—H32108.9
C13A—N1A—C1A—C2A−90.8 (5)C13B—N1B—C1B—C2B−119.9 (5)
C13A—N1A—C1A—C6A93.0 (6)C13B—N1B—C1B—C6B65.0 (6)
C6A—C1A—C2A—C3A3.6 (7)C6B—C1B—C2B—C3B−2.1 (6)
N1A—C1A—C2A—C3A−172.4 (4)N1B—C1B—C2B—C3B−177.1 (4)
C6A—C1A—C2A—C7A−176.1 (5)C6B—C1B—C2B—C7B−180.0 (4)
N1A—C1A—C2A—C7A7.9 (7)N1B—C1B—C2B—C7B5.0 (6)
C1A—C2A—C3A—C4A−1.8 (7)C1B—C2B—C3B—C4B0.7 (7)
C7A—C2A—C3A—C4A177.8 (5)C7B—C2B—C3B—C4B178.6 (4)
C2A—C3A—C4A—C5A−0.5 (8)C2B—C3B—C4B—C5B0.3 (7)
C3A—C4A—C5A—C6A1.3 (9)C3B—C4B—C5B—C6B−0.1 (8)
C4A—C5A—C6A—C1A0.4 (8)C4B—C5B—C6B—C1B−1.2 (7)
C4A—C5A—C6A—C10A−178.5 (6)C4B—C5B—C6B—C10B175.4 (5)
C2A—C1A—C6A—C5A−2.9 (8)C2B—C1B—C6B—C5B2.3 (7)
N1A—C1A—C6A—C5A173.1 (5)N1B—C1B—C6B—C5B177.2 (4)
C2A—C1A—C6A—C10A176.0 (5)C2B—C1B—C6B—C10B−174.1 (4)
N1A—C1A—C6A—C10A−8.0 (8)N1B—C1B—C6B—C10B0.8 (7)
C3A—C2A—C7A—C8A93.8 (7)C3B—C2B—C7B—C9B−75.9 (5)
C1A—C2A—C7A—C8A−86.6 (7)C1B—C2B—C7B—C9B101.9 (5)
C3A—C2A—C7A—C9A−33.8 (8)C3B—C2B—C7B—C8B48.4 (6)
C1A—C2A—C7A—C9A145.9 (6)C1B—C2B—C7B—C8B−133.7 (5)
C5A—C6A—C10A—C11A−95.5 (9)C5B—C6B—C10B—C12B−85.3 (7)
C1A—C6A—C10A—C11A85.6 (9)C1B—C6B—C10B—C12B91.0 (6)
C5A—C6A—C10A—C12A29.8 (10)C5B—C6B—C10B—C11B36.2 (7)
C1A—C6A—C10A—C12A−149.1 (6)C1B—C6B—C10B—C11B−147.5 (6)
C1A—N1A—C13A—C14A−179.9 (4)C1B—N1B—C13B—C14B−174.4 (4)
N1A—C13A—C14A—C19A−3.6 (6)N1B—C13B—C14B—C19B13.4 (6)
N1A—C13A—C14A—C15A176.0 (4)N1B—C13B—C14B—C15B−168.9 (4)
C19A—C14A—C15A—C16A1.2 (6)C19B—C14B—C15B—C16B−0.9 (6)
C13A—C14A—C15A—C16A−178.5 (4)C13B—C14B—C15B—C16B−178.6 (4)
C19A—C14A—C15A—P1A−175.3 (3)C19B—C14B—C15B—P1B177.5 (3)
C13A—C14A—C15A—P1A5.0 (5)C13B—C14B—C15B—P1B−0.2 (5)
C26A—P1A—C15A—C16A4.0 (4)C26B—P1B—C15B—C16B−4.7 (4)
C20A—P1A—C15A—C16A115.2 (3)C20B—P1B—C15B—C16B107.5 (4)
Au1A—P1A—C15A—C16A−116.7 (3)Au1B—P1B—C15B—C16B−125.9 (3)
C26A—P1A—C15A—C14A−179.5 (3)C26B—P1B—C15B—C14B176.9 (3)
C20A—P1A—C15A—C14A−68.3 (4)C20B—P1B—C15B—C14B−70.9 (4)
Au1A—P1A—C15A—C14A59.8 (3)Au1B—P1B—C15B—C14B55.7 (3)
C14A—C15A—C16A—C17A−0.9 (6)C14B—C15B—C16B—C17B0.9 (7)
P1A—C15A—C16A—C17A175.7 (3)P1B—C15B—C16B—C17B−177.5 (4)
C15A—C16A—C17A—C18A0.0 (7)C15B—C16B—C17B—C18B−0.1 (8)
C16A—C17A—C18A—C19A0.6 (7)C16B—C17B—C18B—C19B−0.7 (8)
C15A—C14A—C19A—C18A−0.6 (6)C17B—C18B—C19B—C14B0.6 (8)
C13A—C14A—C19A—C18A179.1 (4)C15B—C14B—C19B—C18B0.2 (7)
C17A—C18A—C19A—C14A−0.3 (7)C13B—C14B—C19B—C18B177.9 (4)
C26A—P1A—C20A—C21A−86.0 (4)C26B—P1B—C20B—C21B−92.6 (4)
C15A—P1A—C20A—C21A162.4 (3)C15B—P1B—C20B—C21B155.1 (4)
Au1A—P1A—C20A—C21A37.2 (4)Au1B—P1B—C20B—C21B29.8 (4)
C26A—P1A—C20A—C25A90.8 (4)C26B—P1B—C20B—C25B84.7 (4)
C15A—P1A—C20A—C25A−20.8 (4)C15B—P1B—C20B—C25B−27.6 (4)
Au1A—P1A—C20A—C25A−145.9 (3)Au1B—P1B—C20B—C25B−152.9 (3)
C25A—C20A—C21A—C22A−0.2 (7)C25B—C20B—C21B—C22B−0.2 (7)
P1A—C20A—C21A—C22A176.6 (4)P1B—C20B—C21B—C22B177.1 (4)
C20A—C21A—C22A—C23A0.2 (7)C20B—C21B—C22B—C23B0.4 (9)
C21A—C22A—C23A—C24A−0.3 (7)C21B—C22B—C23B—C24B−0.3 (9)
C22A—C23A—C24A—C25A0.4 (7)C22B—C23B—C24B—C25B0.1 (8)
C21A—C20A—C25A—C24A0.3 (6)C23B—C24B—C25B—C20B0.1 (7)
P1A—C20A—C25A—C24A−176.5 (3)C21B—C20B—C25B—C24B0.0 (7)
C23A—C24A—C25A—C20A−0.4 (7)P1B—C20B—C25B—C24B−177.3 (3)
C20A—P1A—C26A—C27A159.0 (4)C20B—P1B—C26B—C31B−5.3 (4)
C15A—P1A—C26A—C27A−89.7 (4)C15B—P1B—C26B—C31B105.5 (4)
Au1A—P1A—C26A—C27A31.9 (4)Au1B—P1B—C26B—C31B−131.2 (3)
C20A—P1A—C26A—C31A−20.9 (4)C20B—P1B—C26B—C27B173.3 (3)
C15A—P1A—C26A—C31A90.4 (4)C15B—P1B—C26B—C27B−75.9 (4)
Au1A—P1A—C26A—C31A−148.0 (3)Au1B—P1B—C26B—C27B47.5 (4)
C31A—C26A—C27A—C28A−1.1 (7)C31B—C26B—C27B—C28B−1.6 (7)
P1A—C26A—C27A—C28A178.9 (4)P1B—C26B—C27B—C28B179.7 (4)
C26A—C27A—C28A—C29A2.0 (9)C26B—C27B—C28B—C29B1.5 (7)
C27A—C28A—C29A—C30A−1.3 (9)C27B—C28B—C29B—C30B−0.2 (7)
C28A—C29A—C30A—C31A−0.2 (8)C28B—C29B—C30B—C31B−0.9 (7)
C29A—C30A—C31A—C26A1.1 (8)C29B—C30B—C31B—C26B0.7 (7)
C27A—C26A—C31A—C30A−0.4 (7)C27B—C26B—C31B—C30B0.6 (6)
P1A—C26A—C31A—C30A179.5 (4)P1B—C26B—C31B—C30B179.2 (3)
  4 in total

1.  Gold-based therapeutic agents.

Authors:  C F Shaw III
Journal:  Chem Rev       Date:  1999-09-08       Impact factor: 60.622

2.  A short history of SHELX.

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

3.  Auranofin. New oral gold compound for treatment of rheumatoid arthritis.

Authors:  A E Finkelstein; D T Walz; V Batista; M Mizraji; F Roisman; A Misher
Journal:  Ann Rheum Dis       Date:  1976-06       Impact factor: 19.103

4.  Chlorido{N-[(E)-2-(diphenyl-phosphan-yl)benzyl-idene]-2-(thio-phen-2-yl)ethan-amine-κP}gold(I).

Authors:  Haleden Chiririwa; Alfred Muller
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-12-14
  4 in total

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