Crystallography Open Database

Information card for entry 7706293

Preview

Coordinates	7706293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Br2 Co N4 S2
Calculated formula	C12 H8 Br2 Co N4 S2
Title of publication	Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.
Authors of publication	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15310 - 15322
a	10.8822 ± 0.0004 Å
b	9.3042 ± 0.0004 Å
c	7.6492 ± 0.0006 Å
α	90°
β	95.274 ± 0.004°
γ	90°
Cell volume	771.2 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
260522 (current)	2021-01-05	cif/ Adding structures of 7706290, 7706291, 7706292, 7706293, 7706294, 7706295 via cif-deposit CGI script.	7706293.cif