Crystallography Open Database

Information card for entry 7712959

Preview

Coordinates	7712959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cu N3 S
Calculated formula	C22 H26 Cu N3 S
SMILES	[Cu]12(SC(=CC(=[N]1CCc1[n]2cccc1)C)C)C#[N]c1c(cc(cc1C)C)C.[Cu]1(SC(=CC(=[N]1CCc1ncccc1)C)C)C#[N]c1c(cc(cc1C)C)C
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	8.4434 ± 0.0003 Å
b	13.9072 ± 0.0004 Å
c	19.3518 ± 0.0006 Å
α	99.445 ± 0.002°
β	100.502 ± 0.003°
γ	105.746 ± 0.003°
Cell volume	2094.98 ± 0.13 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	7712959.cif