Crystallography Open Database

Information card for entry 8105534

Preview

Coordinates	8105534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 Co N14 S5
Calculated formula	C38 H24 Co N14 S5
Title of publication	Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2 N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1 N)-bis(thiocyanato-κ1 N)cobalt(II)], C38H24CoN14S5
Authors of publication	Sun, Xiao-Juan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	39 - 40
a	10.6306 ± 0.0006 Å
b	13.1604 ± 0.0005 Å
c	15.1858 ± 0.0007 Å
α	81.039 ± 0.004°
β	82.393 ± 0.004°
γ	66.803 ± 0.004°
Cell volume	1923.04 ± 0.17 Å³
Cell temperature	291.6 ± 0.7 K
Ambient diffraction temperature	291.6 ± 0.7 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
276286 (current)	2022-06-27	cif/ Adding structures of 8105534 via cif-deposit CGI script.	8105534.cif