Crystallography Open Database

Information card for entry 7716862

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Coordinates	7716862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 Cu2 F6 N4 O7 S3
Calculated formula	C40 H41 Cu2 F6 N4 O7 S3
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	11.0301 ± 0.0004 Å
b	13.4863 ± 0.0005 Å
c	15.6024 ± 0.0005 Å
α	71.825 ± 0.003°
β	89.191 ± 0.003°
γ	79.823 ± 0.003°
Cell volume	2168.36 ± 0.14 Å³
Cell temperature	150.1 ± 0.5 K
Ambient diffraction temperature	150.1 ± 0.5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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