Crystallography Open Database

Information card for entry 7710429

Preview

Coordinates	7710429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H69 B Cl3 Co P2 Ru S3
Calculated formula	C65 H69 B Cl3 Co P2 Ru S3
SMILES	[Ru]12([S]3[Co]45678([S]1CC[S]4CC3)[c]1([c]5([c]8([c]7([c]61C)C)C)C)C)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)Cl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand
Authors of publication	Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.0693 ± 0.001 Å
b	27.421 ± 0.002 Å
c	18.1837 ± 0.0015 Å
α	90°
β	101.051 ± 0.002°
γ	90°
Cell volume	5906.3 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1166
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
275891 (current)	2022-06-08	cif/ Adding structures of 7710428, 7710429, 7710430, 7710431, 7710432 via cif-deposit CGI script.	7710429.cif