Crystallography Open Database

Information card for entry 7710430

Preview

Coordinates	7710430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H91 B Cl Co O2 P2 Ru S3
Calculated formula	C82 H91 B Cl Co O2 P2 Ru S3
SMILES	[Ru]1(Cl)([S]2[Co]34567([S]1CC[S]3CC2)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.O1CCCC1.c1ccccc1[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	11.46 ± 0.003 Å
b	30.325 ± 0.006 Å
c	21.269 ± 0.004 Å
α	90°
β	94.809 ± 0.004°
γ	90°
Cell volume	7365 ± 3 Å³
Cell temperature	233 K
Ambient diffraction temperature	233 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7710430.cif