Crystallography Open Database

Information card for entry 2023157

2023156 << 2023157 >> 2023158

Preview

Coordinates	2023157.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diisoselenocyanatotris(2-methylpyridine <i>N</i>-oxide)cobalt(II)
Formula	C20 H21 Co N5 O3 Se2
Calculated formula	C20 H21 Co N5 O3 Se2
SMILES	[Co](N=C=[Se])(N=C=[Se])([O]=n1c(cccc1)C)([O]=n1c(cccc1)C)[O]=n1c(cccc1)C
Title of publication	Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II).
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 7
Pages of publication	704 - 708
a	12.07686 ± 0.00006 Å
b	26.47661 ± 0.00016 Å
c	7.25623 ± 0.00004 Å
α	90°
β	104.276 ± 0.0005°
γ	90°
Cell volume	2248.56 ± 0.02 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	0.829
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
294011 (current)	2024-08-07	cif/ Updating files of 2023156, 2023157 Original log message: Adding full bibliography for 2023156--2023157.cif.	2023157.cif
292269	2024-06-08	cif/ Adding structures of 2023156, 2023157 via cif-deposit CGI script.	2023157.cif