Crystallography Open Database

Information card for entry 7703858

Preview

Coordinates	7703858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Br Co N2 P2
Calculated formula	C30 H41 Br Co N2 P2
SMILES	[Co]1(Br)([P](C)(C)C)([P](C)(C)C)c2c(C=[N]1c1c(C)cccc1C)cccc2/C=N/c1c(C)cccc1C
Title of publication	Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.
Authors of publication	Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5219 - 5227
a	16.5905 ± 0.0007 Å
b	23.4842 ± 0.001 Å
c	15.8812 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6187.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
251623 (current)	2020-05-05	cif/ Updating files of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 Original log message: Adding full bibliography for 7703856--7703861.cif.	7703858.cif
249722	2020-03-26	cif/ Adding structures of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 via cif-deposit CGI script.	7703858.cif