Crystallography Open Database

Information card for entry 7709469

Preview

Coordinates	7709469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 Cl Cu N5 O6.5 S2
Calculated formula	C17 H26 Cl Cu N5 O6.5 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	12.3999 ± 0.0003 Å
b	14.2258 ± 0.0004 Å
c	13.3826 ± 0.0003 Å
α	90°
β	90.462 ± 0.002°
γ	90°
Cell volume	2360.59 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 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.	7709469.cif