Crystallography Open Database

Information card for entry 2240936

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Structure parameters

Chemical name	Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate
Formula	C53 H52 Au2 Cl2 O2 P4
Calculated formula	C53 H52 Au2 Cl2 O2 P4
SMILES	[Au]([P](C[P]([Au]1)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].O=C(C)C.O
Title of publication	Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate
Authors of publication	Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	8
Pages of publication	937 - 940
a	11.7708 ± 0.0003 Å
b	13.3657 ± 0.0003 Å
c	16.1209 ± 0.0004 Å
α	94.056 ± 0.002°
β	92.059 ± 0.002°
γ	97.882 ± 0.002°
Cell volume	2503.29 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181909 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09	2240936.cif 2240936.hkl
152270	2015-07-18	cif/ hkl/ Adding structures of 2240936 via cif-deposit CGI script.	2240936.cif 2240936.hkl