Crystallography Open Database

Information card for entry 4001109

Preview

Coordinates	4001109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Cu3 N12 O12 V4
Calculated formula	C10 H6 Cu3 N12 O12 V4
Title of publication	Three-Dimensional Homospin Inorganic‒Organic Ferrimagnet Constructed from (VO3‒)nChains Linking {[5-(Pyrimidin-2-yl)tetrazolato-(CuII)1.5]2+}nLayers
Authors of publication	Li, Jian-Rong; Yu, Qun; Sañudo, E. Carolina; Tao, Ying; Song, Wei-Chao; Bu, Xian-He
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	4
Pages of publication	1218
a	12.3784 ± 0.0016 Å
b	5.9718 ± 0.0008 Å
c	15.209 ± 0.002 Å
α	90°
β	91.924 ± 0.002°
γ	90°
Cell volume	1123.6 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001109.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001109.cif
41856	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001109 via cif-deposit CGI script.	4001109.cif