Crystallography Open Database

Information card for entry 1548911

Preview

Coordinates	1548911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 Cl3 N5 O4 Ru
Calculated formula	C22 H29 Cl3 N5 O4 Ru
SMILES	[Ru]123(Cl)(Cl)[n]4ccccc4C[N]41CCC[C@@H]4[C@@H]1[N]2(CCC1)Cc1[n]3cccc1.N#CC.Cl(=O)(=O)(=O)[O-]
Title of publication	<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.
Authors of publication	Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	2803 - 2816
a	8.6233 ± 0.001 Å
b	12.5838 ± 0.0016 Å
c	23.552 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2555.7 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228635 (current)	2019-11-17	cif/ Updating files of 1548910, 1548911, 1548912, 1548913, 1548914 Original log message: Adding full bibliography for 1548910--1548914.cif.	1548911.cif
206463	2018-02-16	cif/ Adding structures of 1548910, 1548911, 1548912, 1548913, 1548914 via cif-deposit CGI script.	1548911.cif