Crystallography Open Database

Information card for entry 4347817

Preview

Coordinates	4347817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 N7 O4 Os P
Calculated formula	C42 H37 N7 O4 Os P
SMILES	[Os]1(Oc2c(c3oc4c([n]13)cccc4)cccc2)([NH]=C(N)NO)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.OC
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	10.3167 ± 0.0002 Å
b	12.3418 ± 0.0003 Å
c	15.883 ± 0.0004 Å
α	99.22 ± 0.002°
β	90.675 ± 0.002°
γ	101.913 ± 0.002°
Cell volume	1951.1 ± 0.08 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	0.0253
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
232521 (current)	2019-11-23	cif/ Adding structures of 4347817 via cif-deposit CGI script.	4347817.cif