Crystallography Open Database

Information card for entry 4347815

Preview

Coordinates	4347815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N5 O3 Os P
Calculated formula	C40 H28 N5 O3 Os P
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Os]1(Oc2ccccc2c2oc3ccccc3[n]12)(N=O)(C#N)(C#N)C#N
Title of publication	Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.
Authors of publication	Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	5056 - 5061
a	11.291 ± 0.0008 Å
b	13.1602 ± 0.0009 Å
c	13.162 ± 0.0009 Å
α	75.406 ± 0.006°
β	72.121 ± 0.006°
γ	75.807 ± 0.006°
Cell volume	1771.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0534
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
232519 (current)	2019-11-23	cif/ Adding structures of 4347815 via cif-deposit CGI script.	4347815.cif