Crystallography Open Database

Information card for entry 4306831

Preview

Coordinates	4306831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Br4 Fe Mn2 N11 O7
Calculated formula	C41 H30 Br4 Fe Mn2 N11 O7
Title of publication	Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations
Authors of publication	Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	22 - 33
a	13.4412 ± 0.0006 Å
b	18.846 ± 0.0008 Å
c	19.6663 ± 0.0008 Å
α	90°
β	102.264 ± 0.001°
γ	90°
Cell volume	4868 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.1263
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179106 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68.	4306831.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306831.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306831.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306831.cif