Information card for entry 7009083

Structure parameters

• Formula: C69 H85 Cr O4
• Calculated formula: C89 H119 Cr O4
• 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: 13.542 ± 0.002 Å
• b: 15.295 ± 0.002 Å
• c: 15.682 ± 0.002 Å
• α: 81.43 ± 0.02°
• β: 81.68 ± 0.02°
• γ: 69.06 ± 0.02°
• Cell volume: 2985 ± 0.8 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.1994
• Weighted residual factors for significantly intense reflections: 0.166
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 0.974
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No