Crystallography Open Database

Information card for entry 7709466

Preview

Coordinates	7709466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Cl Cu N3 O S
Calculated formula	C12 H17 Cl Cu N3 O S
Title of publication	N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties
Authors of publication	Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.5881 ± 0.0009 Å
b	6.0555 ± 0.0004 Å
c	19.3671 ± 0.0014 Å
α	90°
β	101.012 ± 0.002°
γ	90°
Cell volume	1449.12 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0386
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272906 (current)	2022-02-11	cif/ Adding structures of 7709462, 7709463, 7709464, 7709465, 7709466, 7709467, 7709468, 7709469 via cif-deposit CGI script.	7709466.cif