Crystallography Open Database

Information card for entry 7712955

Preview

Coordinates	7712955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N S
Calculated formula	C17 H25 N S
SMILES	S=C(/C=C(\Nc1c(cccc1C(C)C)C(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	11.8498 ± 0.0004 Å
b	8.9288 ± 0.0004 Å
c	15.6583 ± 0.0006 Å
α	90°
β	99.025 ± 0.003°
γ	90°
Cell volume	1636.21 ± 0.11 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	0.0446
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7712955.cif