Information card for entry 4339801

Structure parameters

• Chemical name: hexa-(3,5-difluorobenzoato-O,O')-hexacopper(I,I,I,I,I,I), coronene
• Formula: C66 H30 Cu6 F12 O12
• Calculated formula: C66 H30 Cu6 F12 O12
• Title of publication: The first hexanuclear copper(I) carboxylate: X-ray crystal structure and reactivity in solution and gas-phase reactions.
• Authors of publication: Sevryugina, Yulia; Rogachev, Andrey Yu; Petrukhina, Marina A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7870 - 7879
• a: 9.5577 ± 0.0005 Å
• b: 11.9244 ± 0.0006 Å
• c: 12.9601 ± 0.0007 Å
• α: 81.512 ± 0.001°
• β: 76.664 ± 0.001°
• γ: 78.814 ± 0.001°
• Cell volume: 1401.72 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No