Crystallography Open Database

Information card for entry 7116191

Preview

Coordinates	7116191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.5 H69.5 Au2 Cl2 N2 P3
Calculated formula	C63.5 H69.5 Au2 Cl2 N2 P3
Title of publication	P-P σ-bond activation by gold(I) coordination.
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	51
Journal issue	7
Pages of publication	1363 - 1366
a	12.4677 ± 0.0004 Å
b	21.4096 ± 0.0008 Å
c	22.9115 ± 0.0008 Å
α	75.619 ± 0.002°
β	89.277 ± 0.002°
γ	82.235 ± 0.002°
Cell volume	5868.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0931
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116191.cif
129292	2015-01-01	cif/ Adding structures of 7116190, 7116191, 7116192, 7116193 via cif-deposit CGI script.	7116191.cif