Crystallography Open Database

Information card for entry 7047676

Preview

Coordinates	7047676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Co N2 O4
Calculated formula	C54 H58 Co N2 O4
Title of publication	Cobalt complexes with hemilabile o-iminobenzoquinonate ligands: a novel example of redox-induced electron transfer.
Authors of publication	Piskunov, Alexandr V.; Pashanova, Kira I.; Bogomyakov, Artem S.; Smolyaninov, Ivan V.; Starikov, Andrey G.; Fukin, Georgy K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	42
Pages of publication	15049 - 15060
a	9.8173 ± 0.0005 Å
b	18.7393 ± 0.001 Å
c	24.5585 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4518 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
229486 (current)	2019-11-17	cif/ Updating files of 7047675, 7047676 Original log message: Adding full bibliography for 7047675--7047676.cif.	7047676.cif
211225	2018-09-29	cif/ Adding structures of 7047675, 7047676 via cif-deposit CGI script.	7047676.cif