Crystallography Open Database

Information card for entry 4350827

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Coordinates	4350827.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	20.3687 ± 0.0011 Å
b	8.8343 ± 0.0005 Å
c	18.9769 ± 0.0009 Å
α	90°
β	115.79 ± 0.005°
γ	90°
Cell volume	3074.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
297595 (current)	2025-02-05	cif/ Adding structures of 4350827 via cif-deposit CGI script.	4350827.cif