Crystallography Open Database

Information card for entry 2311573

Preview

Coordinates	2311573.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Acetonitrile-κ<i>N</i>)tris(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) acetonitrile disolvate
Formula	C26 H27 Co N11 S5
Calculated formula	C26 H27 Co N11 S5
Title of publication	Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.
Authors of publication	Neumann, Tristan; Jess, Inke; Näther, Christian
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 7
Pages of publication	964 - 969
a	11.3566 ± 0.0004 Å
b	12.3251 ± 0.0002 Å
c	23.7557 ± 0.0008 Å
α	90°
β	93.273 ± 0.003°
γ	90°
Cell volume	3319.69 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245995 (current)	2019-12-25	cif/ Adding structures of 2311573, 2311574 via cif-deposit CGI script.	2311573.cif