Crystallography Open Database

Information card for entry 7036536

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Structure parameters

Formula	C93 H78 Au2 Cl2 N12 P6
Calculated formula	C93 H78 Au2 Cl2 N12 P6
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	13.2229 ± 0.0003 Å
b	26.6831 ± 0.0005 Å
c	24.6194 ± 0.0005 Å
α	90°
β	95.777 ± 0.0013°
γ	90°
Cell volume	8642.3 ± 0.3 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7036536.cif
161919	2015-10-09	cif/ Updating files of 7036535, 7036536 Original log message: Adding full bibliography for 7036535--7036536.cif.	7036536.cif
156345	2015-09-16	cif/ Adding structures of 7036535, 7036536 via cif-deposit CGI script.	7036536.cif