Crystallography Open Database

Information card for entry 2312400

Preview

Coordinates	2312400.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Formula	C20 H21 Co N5 O3 S2
Calculated formula	C20 H21 Co N5 O3 S2
Title of publication	Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.
Authors of publication	Näther, Christian; Jess, Inke
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	174 - 179
a	11.7033 ± 0.00008 Å
b	12.55284 ± 0.00009 Å
c	17.5256 ± 0.0002 Å
α	93.5044 ± 0.0008°
β	91.8625 ± 0.0008°
γ	115.071 ± 0.0007°
Cell volume	2322.89 ± 0.04 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0294
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290313 (current)	2024-03-05	cif/ Adding structures of 2312400, 2312401 via cif-deposit CGI script.	2312400.cif