Crystallography Open Database

Information card for entry 7036535

Preview

Coordinates	7036535.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	μ-(2-(Diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole-κ
Formula	C32 H28 Au2 Cl4 N4 P2
Calculated formula	C32 H28 Au2 Cl4 N4 P2
SMILES	[Au](Cl)[P](c1n(Cn2c([P]([Au]Cl)(c3ccccc3)c3ccccc3)ncc2)ccn1)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].
Authors of publication	Bhat, Sajad A.; Mague, Joel T.; Balakrishna, Maravanji S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17696 - 17703
a	15.155 ± 0.002 Å
b	17.012 ± 0.003 Å
c	26.119 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6733.9 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161919 (current)	2015-10-09	cif/ Updating files of 7036535, 7036536 Original log message: Adding full bibliography for 7036535--7036536.cif.	7036535.cif
156345	2015-09-16	cif/ Adding structures of 7036535, 7036536 via cif-deposit CGI script.	7036535.cif