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 Cu2S cores: (solvent)effects on oxygen reduction reactions.
Authors of publication	Mangue, Jordan; Wehrung, Iris; Pecaut, Jacques; Menage, Stephane; Orio, Maylis; Torelli, Stephane
Journal of publication	Dalton Transactions
Year of publication	2024
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7716861.html