Crystallography Open Database

Information card for entry 7712956

Preview

Coordinates	7712956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cu N2 P S
Calculated formula	C30 H30 Cu N2 P S
SMILES	[Cu]12(SC(=CC(=[N]1CCc1[n]2cccc1)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes
Authors of publication	Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.0287 ± 0.0002 Å
b	9.26 ± 0.0002 Å
c	28.742 ± 0.0006 Å
α	90°
β	96.315 ± 0.002°
γ	90°
Cell volume	2652.95 ± 0.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.047
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
283539 (current)	2023-05-06	cif/ Adding structures of 7712954, 7712955, 7712956, 7712957, 7712958, 7712959, 7712960, 7712961, 7712962, 7712963, 7712964, 7712965 via cif-deposit CGI script.	7712956.cif