Crystallography Open Database

Information card for entry 1550496

Preview

Coordinates	1550496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Au Cl N O P
Calculated formula	C19 H16 Au Cl N O P
SMILES	[Au]([p]1c(O)cc(c2ccccc2)cc1c1ccccc1)Cl.CC#N
Title of publication	Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
Authors of publication	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
Journal of publication	Chemical Science
Year of publication	2019
a	12.7694 ± 0.0003 Å
b	7.3282 ± 0.0003 Å
c	38.4557 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3598.56 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0589
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213240 (current)	2019-01-22	cif/ Adding structures of 1550495, 1550496, 1550497, 1550498, 1550499, 1550500, 1550501, 1550502, 1550503, 1550504 via cif-deposit CGI script.	1550496.cif