Crystallography Open Database

Information card for entry 4336062

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Structure parameters

Formula	C6.75 K4 N6 O0.25 S6 V
Calculated formula	C11.832 K4 N6 S6 V
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	8.458801 ± 0.000023 Å
b	8.458801 ± 0.000023 Å
c	9.193656 ± 0.000037 Å
α	90°
β	90°
γ	120°
Cell volume	569.687 ± 0.003 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Goodness-of-fit parameter for all reflections	2.324
Method of determination	powder diffraction
Diffraction radiation wavelength	0.697301 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181932 (current)	2016-04-07	hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33.	4336062.cif 4336062.hkl
180700	2016-04-02	cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property.	4336062.cif 4336062.hkl
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336062.cif 4336062.hkl
103164	2014-02-25	hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013	4336062.cif 4336062.hkl
102032	2014-02-19	cif/ Adding structures of 4336062 via cif-deposit CGI script.	4336062.cif