Crystallography Open Database

Information card for entry 4337550

Preview

Coordinates	4337550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H47 Fe2 Mn N17 O4
Calculated formula	C70 H47 Fe2 Mn N17 O4
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	12.6301 ± 0.0013 Å
b	16.0901 ± 0.0015 Å
c	17.9602 ± 0.0014 Å
α	96.881 ± 0.002°
β	109.572 ± 0.003°
γ	109.261 ± 0.002°
Cell volume	3135.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0808
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	4337550.cif
106460	2014-03-15	cif/ Adding structures of 4337547, 4337548, 4337549, 4337550 via cif-deposit CGI script.	4337550.cif