Crystallography Open Database

Information card for entry 1564895

Preview

Coordinates	1564895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N6 O4 Os P
Calculated formula	C42 H30 N6 O4 Os P
SMILES	[Os]1([n]2c3ccccc3oc2c2cc(N(=O)=O)ccc2O1)([N]#CC)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
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	31.9083 ± 0.0016 Å
b	7.4874 ± 0.0003 Å
c	32.008 ± 0.0015 Å
α	90°
β	94.356 ± 0.003°
γ	90°
Cell volume	7624.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	0.731
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.	1564895.cif