Crystallography Open Database

Information card for entry 2023254

2023253 << 2023254 >> 2023255

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Coordinates	2023254.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[ethanol(μ-4-methylpyridine <i>N</i>-oxide)di-μ-thiocyanato-cobalt(II)]
Formula	C10 H13 Co N3 O2 S2
Calculated formula	C10 H13 Co N3 O2 S2
Title of publication	Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-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	10
a	11.67627 ± 0.00007 Å
b	11.61861 ± 0.00006 Å
c	10.60662 ± 0.00007 Å
α	90°
β	107.593 ± 0.0007°
γ	90°
Cell volume	1371.61 ± 0.015 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
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	0.0223
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
294843 (current)	2024-09-21	cif/ Adding structures of 2023254 via cif-deposit CGI script.	2023254.cif