Crystallography Open Database

Information card for entry 7709463

Preview

Coordinates	7709463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Cl2 N8 Ni O10 S2
Calculated formula	C14 H20 Cl2 N8 Ni O10 S2
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	14.5374 ± 0.001 Å
b	17.6166 ± 0.0011 Å
c	10.1978 ± 0.0007 Å
α	90°
β	107.572 ± 0.001°
γ	90°
Cell volume	2489.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7709463.cif