Crystallography Open Database

Information card for entry 4331644

Preview

Coordinates	4331644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H60 Cl4 Mn2 N10 O4
Calculated formula	C34 H60 Cl4 Mn2 N10 O4
Title of publication	Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity
Authors of publication	Dominik Lieb; Felix C. Friedel; Mirza Yawer; Achim Zahl; Marat M. Khusniyarov; Frank W. Heinemann; Ivana Ivanović-Burmazović
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	222 - 236
a	20.051 ± 0.004 Å
b	21.294 ± 0.004 Å
c	10.9675 ± 0.0018 Å
α	90°
β	113.622 ± 0.003°
γ	90°
Cell volume	4290.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.29
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4331644.cif
97770	2014-01-29	cif/ Adding structures of 4331644 via cif-deposit CGI script.	4331644.cif