Crystallography Open Database

Information card for entry 7716533

Preview

Coordinates	7716533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Cu2 F12 N4 S2
Calculated formula	C48 H46 Cu2 F12 N4 S2
Title of publication	Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.
Authors of publication	Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13160 - 13173
a	11.8903 ± 0.0008 Å
b	13.8732 ± 0.001 Å
c	15.8152 ± 0.0012 Å
α	90.204 ± 0.002°
β	90.424 ± 0.002°
γ	107.321 ± 0.002°
Cell volume	2490.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1284
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
294581 (current)	2024-09-06	cif/ Updating files of 7716532, 7716533, 7716534, 7716535, 7716536, 7716537 Original log message: Adding full bibliography for 7716532--7716537.cif.	7716533.cif
292713	2024-07-04	cif/ Adding structures of 7716532, 7716533, 7716534, 7716535, 7716536, 7716537 via cif-deposit CGI script.	7716533.cif