Crystallography Open Database

Information card for entry 2023478

2023477 << 2023478 >> 2023479

Preview

Coordinates	2023478.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diaquabis(4-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Formula	C14 H18 Co N4 O2 S2
Calculated formula	C14 H18 Co N4 O2 S2
Title of publication	Synthesis, crystal structure and thermal properties of di-aqua-bis-(4-methyl-pyridine-κ<i>N</i>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II).
Authors of publication	Näther, Christian; Boeckmann, Jan
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	420 - 424
a	10.1901 ± 0.0006 Å
b	12.2379 ± 0.001 Å
c	7.6165 ± 0.0009 Å
α	90°
β	103.379 ± 0.01°
γ	90°
Cell volume	924.04 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 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	0.0519
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299927 (current)	2025-06-03	cif/ Updating files of 2023478 Original log message: Adding full bibliography for 2023478.cif.	2023478.cif
299397	2025-04-25	cif/ Adding structures of 2023478 via cif-deposit CGI script.	2023478.cif