Crystallography Open Database

Information card for entry 7110885

Preview

Coordinates	7110885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H98 Cr2 N30 Ni3 O12
Calculated formula	C40 H82 Cr2 N30 Ni3 O12
Title of publication	Crystal structure and magnetic properties of a new two-dimensional cyano-bridged bimetallic assembly [NiL′]3[Cr(CN)5(NO)]2·10H2O (L′ = 3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)
Authors of publication	Kou, Hui-Zhong; Gao, Song; Ma, Bao-Qing; Liao, Dai-Zheng
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	713
a	25.836 ± 0.005 Å
b	15.369 ± 0.003 Å
c	19.478 ± 0.004 Å
α	90°
β	105.15 ± 0.03°
γ	90°
Cell volume	7465 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110885.cif
95995	2014-01-28	cif/ Adding structures of 7110885 via cif-deposit CGI script.	7110885.cif