Information card for entry 7009019

Structure parameters

• Formula: C26 H30 Mn N5 O2
• Calculated formula: C26 H30 Mn N5 O2
• Title of publication: The reactivity of dibenzotetramethyltetraaza[14]annulene-Mn(II): functionalisation of manganese in a macrocyclic environment
• Authors of publication: Franceschi, Federico; 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: 4
• Pages of publication: 593
• a: 10.892 ± 0.002 Å
• b: 13.884 ± 0.002 Å
• c: 16.057 ± 0.002 Å
• α: 90 ± 0°
• β: 103.89 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 2357.2 ± 0.6 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 143 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: 0.2015
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections: 0.375
• Weighted residual factors for significantly intense reflections: 0.2255
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.215
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No