Crystallography Open Database

Information card for entry 4350828

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Coordinates	4350828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cl2 Co N4 S2
Calculated formula	C12 H8 Cl2 Co N4 S2
Title of publication	Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties
Authors of publication	Michael Böhme; Aleksej Jochim; Michał Rams; Thomas Lohmiller; Stefan Suckert; Alexander Schnegg; Winfried Plass; Christian Näther
Journal of publication	Inorganic Chemistry
Year of publication	2020
Journal volume	59
Journal issue	8
Pages of publication	5325 - 5338
a	8.083 ± 0.0005 Å
b	9.3935 ± 0.0006 Å
c	10.7022 ± 0.0007 Å
α	73.445 ± 0.005°
β	83.196 ± 0.005°
γ	80.791 ± 0.005°
Cell volume	766.59 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
297596 (current)	2025-02-05	cif/ Adding structures of 4350828 via cif-deposit CGI script.	4350828.cif