Crystallography Open Database

Information card for entry 4331492

Preview

Coordinates	4331492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Co N12 Ni
Calculated formula	C18 H16 Co N12 Ni
Title of publication	Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties
Authors of publication	Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4263 - 4269
a	14.215 ± 0.007 Å
b	9.376 ± 0.005 Å
c	16.615 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2214 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179417 (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 4/33/14.	4331492.cif
97653	2014-01-29	cif/ Adding structures of 4331492 via cif-deposit CGI script.	4331492.cif