Crystallography Open Database

Information card for entry 4307767

Preview

Coordinates	4307767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H180 B4 Cl8 Cu6 Fe4 N62 O35
Calculated formula	C114 H180 B4 Cl8 Cu6 Fe4 N62 O35
Title of publication	Cyano-Bridged FeIII2CuII3 and FeIII4NiII4 Complexes: Syntheses, Structures, and Magnetic Properties
Authors of publication	Zhi-Guo Gu; Wei Liu; Qiao-Fang Yang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3236 - 3244
a	20.375 ± 0.011 Å
b	16.234 ± 0.009 Å
c	31.17 ± 0.013 Å
α	90°
β	119.17 ± 0.03°
γ	90°
Cell volume	9002 ± 8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
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	0.0899
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
179115 (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 4/30/77.	4307767.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307767.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307767.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307767.cif