Information card for entry 7009084

Structure parameters

• Formula: C58 H82 Cr O7
• Calculated formula: C58 H82 Cr O7
• Title of publication: Chromium-(II) and -(III) over a planar oxo surface modelled by calix[4]arene anions: redox chemistry and formation of Cr‒C functionalities
• Authors of publication: Hesschenbrouck, Joëlle; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Rizzoli, Corrado; Chiesi-Villa, Angiola
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 191
• a: 12.526 ± 0.002 Å
• b: 19.174 ± 0.002 Å
• c: 21.933 ± 0.002 Å
• α: 90 ± 0°
• β: 90 ± 0°
• γ: 90 ± 0°
• Cell volume: 5267.7 ± 1.1 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.1759
• Weighted residual factors for significantly intense reflections: 0.1419
• Goodness-of-fit parameter for all reflections: 1.157
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No