Crystallography Open Database

Information card for entry 4336059

Preview

Coordinates	4336059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 Co3 N6 O6 S6
Calculated formula	C30 H48 Co3 N6 O6 S6
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	10.0641 ± 0.001 Å
b	10.2026 ± 0.0009 Å
c	11.1551 ± 0.0011 Å
α	70.675 ± 0.007°
β	71.12 ± 0.005°
γ	77.773 ± 0.006°
Cell volume	1015.66 ± 0.18 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0817
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1902
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	4336059.cif
102029	2014-02-19	cif/ Adding structures of 4336059 via cif-deposit CGI script.	4336059.cif