Crystallography Open Database

Information card for entry 1564894

Preview

Coordinates	1564894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 N7 O4 Os P
Calculated formula	C45 H36 N7 O4 Os P
SMILES	[Os]1([n]2c3ccccc3oc2c2cc(N(=O)=O)ccc2O1)(N=C(C)C)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
Title of publication	Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex
Authors of publication	Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung
Journal of publication	Chemical Science
Year of publication	2021
a	7.541 ± 0.004 Å
b	16.41 ± 0.009 Å
c	17.308 ± 0.01 Å
α	108.857 ± 0.01°
β	93.523 ± 0.01°
γ	91.599 ± 0.009°
Cell volume	2020.5 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0625
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269879 (current)	2021-10-10	cif/ Adding structures of 1564893, 1564894, 1564895 via cif-deposit CGI script.	1564894.cif