Crystallography Open Database

Information card for entry 7716861

Preview

Coordinates	7716861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 O4 S2
Calculated formula	C18 H14 O4 S2
Title of publication	Bio-inspired copper complexes with Cu<sub>2</sub>S cores: (solvent) effects on oxygen reduction reactions.
Authors of publication	Mangue, Jordan; Wehrung, Iris; Pécaut, Jacques; Ménage, Stéphane; Orio, Maylis; Torelli, Stéphane
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	37
Pages of publication	15576 - 15582
a	8.0729 ± 0.0003 Å
b	9.8805 ± 0.0004 Å
c	11.0153 ± 0.0004 Å
α	96.363 ± 0.003°
β	104.018 ± 0.003°
γ	108.327 ± 0.003°
Cell volume	792.37 ± 0.06 Å³
Cell temperature	92 ± 1 K
Ambient diffraction temperature	92 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
295287 (current)	2024-10-06	cif/ Updating files of 7716861, 7716862 Original log message: Adding full bibliography for 7716861--7716862.cif.	7716861.cif
294199	2024-08-24	cif/ Adding structures of 7716861, 7716862 via cif-deposit CGI script.	7716861.cif