Crystallography Open Database

Information card for entry 7710432

Preview

Coordinates	7710432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H55 Cl2 Co O P2 Ru S3
Calculated formula	C44 H55 Cl2 Co O P2 Ru S3
SMILES	[Ru]12(Cl)(Cl)([S]3[Co]45678([S]1CC[S]4CC3)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.O1CCCC1
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	11.4855 ± 0.001 Å
b	12.544 ± 0.0011 Å
c	15.9637 ± 0.0014 Å
α	94.842 ± 0.002°
β	105.592 ± 0.002°
γ	93.863 ± 0.002°
Cell volume	2197.7 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1323
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7710432.cif