Crystallography Open Database

Information card for entry 4337548

Preview

Coordinates	4337548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H64 Fe2 Mn2 N16 O10
Calculated formula	C78 H64 Fe2 Mn2 N16 O10
Title of publication	Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.
Authors of publication	Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	116 - 127
a	17.6439 ± 0.0015 Å
b	23.7322 ± 0.0017 Å
c	20.535 ± 0.002 Å
α	90°
β	105.385 ± 0.003°
γ	90°
Cell volume	8290.5 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0824
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337548.cif
106460	2014-03-15	cif/ Adding structures of 4337547, 4337548, 4337549, 4337550 via cif-deposit CGI script.	4337548.cif