Crystallography Open Database

Information card for entry 4110303

Preview

Coordinates	4110303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Co2 N8 O6
Calculated formula	C22 H16 Co2 N8 O6
Title of publication	Single Crystal-to-Single Crystal Transformation from Ferromagnetic Discrete Molecules to a Spin-Canting Antiferromagnetic Layer
Authors of publication	Xiao-Ning Cheng; Wei-Xiong Zhang; Xiao-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15738 - 15739
a	9.722 ± 0.003 Å
b	7.723 ± 0.002 Å
c	15.01 ± 0.004 Å
α	90°
β	91.352 ± 0.005°
γ	90°
Cell volume	1126.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
178874 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03.	4110303.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110303.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110303.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110303.cif