Crystallography Open Database

Information card for entry 2023262

2023261 << 2023262 >> 2023263

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Coordinates	2023262.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{2-[Bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)
Formula	C14 H16 Cd Cl N3 S
Calculated formula	C14 H16 Cd Cl N3 S
Title of publication	Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)
Authors of publication	Reynolds, Todd M.; Berry, Steven M.; Bebout, Deborah C.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	10
Pages of publication	1081 - 1086
a	12.8451 ± 0.0014 Å
b	7.4508 ± 0.0007 Å
c	15.9284 ± 0.0017 Å
α	90°
β	96.965 ± 0.003°
γ	90°
Cell volume	1513.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0153
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for significantly intense reflections	0.0348
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
294949 (current)	2024-10-01	cif/ Adding structures of 2023262 via cif-deposit CGI script.	2023262.cif