Crystallography Open Database

Information card for entry 2023089

2023088 << 2023089 >> 2023090

Preview

Coordinates	2023089.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-4-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[(methanol-κ<i>O</i>)(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]
Formula	C30 H36 Co2 N8 O6 S4
Calculated formula	C30 H36 Co2 N8 O6 S4
Title of publication	Synthesis, crystal structure and thermal properties of the dinuclear complex bis(μ-4-methylpyridine N-oxide-κ2 O:O)bis[(methanol-κO)(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)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	5
a	11.46665 ± 0.00013 Å
b	12.37103 ± 0.00015 Å
c	13.58185 ± 0.00017 Å
α	90°
β	97.0894 ± 0.0011°
γ	90°
Cell volume	1911.91 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
291291 (current)	2024-04-19	cif/ Adding structures of 2023089 via cif-deposit CGI script.	2023089.cif