Information card for entry 2018449

Structure parameters

• Common name: bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium
• Formula: C26 H18 F8 O2 Rh2
• Calculated formula: C26 H18 F8 O2 Rh2
• SMILES: [CH]12C3[CH]4[Rh]5671([O](C)[Rh]1897([CH]7=[CH]1C1[CH]8=[CH]9C7c7c(c(F)c(F)c(F)c17)F)[O]6C)[CH]=2C([CH]=45)c1c(c(F)c(F)c(F)c31)F
• Title of publication: Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)]
• Authors of publication: García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m113 - m116
• a: 25.7648 ± 0.0017 Å
• b: 10.8166 ± 0.0007 Å
• c: 8.0542 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes