Crystallography Open Database

Information card for entry 7217120

Preview

Coordinates	7217120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 N8 Ni2 O15 S2
Calculated formula	C44 H42 N8 Ni2 O15 S2
Title of publication	Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water
Authors of publication	Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8492
a	7.286 ± 0.008 Å
b	12.218 ± 0.014 Å
c	24.76 ± 0.03 Å
α	90°
β	90.484 ± 0.014°
γ	90°
Cell volume	2204 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0831
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217120.cif
123409	2014-09-08	cif/ Updating files of 7217120, 7217121, 7217122 Original log message: Adding full bibliography for 7217120--7217122.cif.	7217120.cif
120365	2014-07-15	cif/ Adding structures of 7217120, 7217121, 7217122 via cif-deposit CGI script.	7217120.cif