Information card for entry 7009081

Structure parameters

• Formula: C58 H86 Cl Cr O7
• Calculated formula: C66 H107 Cl Cr O8
• 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: 13.529 ± 0.003 Å
• b: 30.221 ± 0.005 Å
• c: 13.998 ± 0.004 Å
• α: 90 ± 0°
• β: 103.76 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 5559 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2185
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.4244
• Weighted residual factors for significantly intense reflections: 0.1814
• Goodness-of-fit parameter for all reflections: 2.051
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No