Crystallography Open Database

Information card for entry 4336058

Preview

Coordinates	4336058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Mn N4 S2
Calculated formula	C6 H6 Mn N4 S2
Title of publication	First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition
Authors of publication	Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10583 - 10594
a	9.0889 ± 0.0013 Å
b	9.0476 ± 0.0013 Å
c	13.1775 ± 0.0018 Å
α	90°
β	104.994 ± 0.002°
γ	90°
Cell volume	1046.7 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179463 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60.	4336058.cif
102028	2014-02-19	cif/ Adding structures of 4336058 via cif-deposit CGI script.	4336058.cif