Crystallography Open Database

Information card for entry 7114953

Preview

Coordinates	7114953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N4 Ni S2
Calculated formula	C8 H6 N4 Ni S2
Title of publication	A paramagnetic lamellar polymer with a high semiconductivity
Authors of publication	Zhao, Yingjun; Hong, Maochun; Liang, Yucang; Cao, Rong; Weng, Jiabao; Lu, Shaofang; Li, Wenjie
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	11
Pages of publication	1020
a	7.886 ± 0.0006 Å
b	15.5844 ± 0.0011 Å
c	16.2399 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1995.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180263 (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 7/11/49.	7114953.cif
118444	2014-06-30	cif/ Adding structures of 7114953 via cif-deposit CGI script.	7114953.cif