Crystallography Open Database

Information card for entry 4337547

Preview

Coordinates	4337547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H65 Fe2 Mn2 N19 O7
Calculated formula	C82 H65 Fe2 Mn2 N19 O7
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	17.4103 ± 0.0015 Å
b	23.7012 ± 0.0017 Å
c	20.3902 ± 0.0011 Å
α	90°
β	104.701 ± 0.002°
γ	90°
Cell volume	8138.5 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0685
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4337547.cif
106460	2014-03-15	cif/ Adding structures of 4337547, 4337548, 4337549, 4337550 via cif-deposit CGI script.	4337547.cif