Crystallography Open Database

Information card for entry 4337549

Preview

Coordinates	4337549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 Fe2 Mn N14 O5
Calculated formula	C56 H40 Fe2 Mn N14 O5
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	13.184 ± 0.003 Å
b	13.904 ± 0.003 Å
c	15.349 ± 0.003 Å
α	95.66 ± 0.03°
β	106.3 ± 0.03°
γ	98.89 ± 0.03°
Cell volume	2638 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4337549.cif
106460	2014-03-15	cif/ Adding structures of 4337547, 4337548, 4337549, 4337550 via cif-deposit CGI script.	4337549.cif