Crystallography Open Database

Information card for entry 7214580

Preview

Coordinates	7214580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cl2 N2 Ni O2 S2 Se
Calculated formula	C10 H16 Cl2 N2 Ni O2 S2 Se
Title of publication	The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole
Authors of publication	Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7434
a	8.5377 ± 0.0011 Å
b	13.1086 ± 0.0017 Å
c	14.4617 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1618.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
180476 (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 7/21/45.	7214580.cif
110312	2014-04-18	cif/ Adding structures of 7214580, 7214581, 7214582, 7214583, 7214584 via cif-deposit CGI script.	7214580.cif