Information card for entry 4348665

Structure parameters

• Formula: C37.62 H33.42 Cu2 F6 N7.81 O8 S2
• Calculated formula: C37.606 H33.409 Cu2 F6 N7.803 O8 S2
• Title of publication: Room-Temperature Characterization of a Mixed-Valent μ-Hydroxodicopper(II,III) Complex.
• Authors of publication: Isaac, James A.; Gennarini, Federica; López, Isidoro; Thibon-Pourret, Aurore; David, Rolf; Gellon, Gisèle; Gennaro, Béatrice; Philouze, Christian; Meyer, Franc; Demeshko, Serhiy; Le Mest, Yves; Réglier, Marius; Jamet, Hélène; Le Poul, Nicolas; Belle, Catherine
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8263 - 8266
• a: 14.783 ± 0.003 Å
• b: 17.3 ± 0.004 Å
• c: 18.904 ± 0.004 Å
• α: 70.13 ± 0.03°
• β: 68.96 ± 0.03°
• γ: 76.69 ± 0.03°
• Cell volume: 4211.3 ± 1.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1058
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No