Crystallography Open Database

Information card for entry 7712958

Preview

Coordinates	7712958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N S
Calculated formula	C14 H19 N S
SMILES	S=C(/C=C(\Nc1c(cc(cc1C)C)C)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	8.1962 ± 0.0003 Å
b	8.8474 ± 0.0002 Å
c	18.7562 ± 0.0005 Å
α	90°
β	100.089 ± 0.003°
γ	90°
Cell volume	1339.08 ± 0.07 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
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	0.0387
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	7712958.cif