Crystallography Open Database

Information card for entry 4306834

Preview

Coordinates	4306834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H52 Cl4 Fe Mn2 N11 O7
Calculated formula	C49 H46 Cl4 Fe Mn2 N11 O7
SMILES	[Fe](C#N)([n]1cn(cc1)C)(C#[N][Mn]123([N](C(C)(C([N]3=Cc3c(O2)ccc(Cl)c3)(C)C)C)=Cc2c(O1)ccc(Cl)c2)[OH2])(C#N)(C#N)C#[N][Mn]123(Oc4ccc(Cl)cc4C=[N]3C(C([N]1=Cc1c(O2)ccc(Cl)c1)(C)C)(C)C)[OH2].O
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	14.892 ± 0.003 Å
b	14.443 ± 0.003 Å
c	25.42 ± 0.005 Å
α	90°
β	93 ± 0.03°
γ	90°
Cell volume	5460 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1205
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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.	4306834.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306834.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306834.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4306834.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306834.cif