Information card for entry 7009020

Structure parameters

• Formula: C60 H82 Mn2 N8 Na2 O5
• Calculated formula: C60 H82 Mn2 N8 Na2 O5
• 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: 10.593 ± 0.003 Å
• b: 19.228 ± 0.005 Å
• c: 15.663 ± 0.005 Å
• α: 90 ± 0°
• β: 107.71 ± 0.03°
• γ: 90 ± 0°
• Cell volume: 3039.1 ± 1.6 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2783
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections: 0.2877
• Weighted residual factors for significantly intense reflections: 0.1598
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.199
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No