Crystallography Open Database

Information card for entry 7712954

Preview

Coordinates	7712954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H39 Cu N P S
Calculated formula	C35 H39 Cu N P S
SMILES	[Cu]1(SC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)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	8.7209 ± 0.0002 Å
b	11.5302 ± 0.0002 Å
c	15.5452 ± 0.0003 Å
α	90°
β	97.78 ± 0.002°
γ	90°
Cell volume	1548.74 ± 0.05 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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.	7712954.cif