Information card for entry 7009021

Structure parameters

• Formula: C68 H92 Mn2 N8 Na4 O6
• Calculated formula: C68 H92 Mn2 N8 Na4 O6
• 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: 14.64 ± 0.003 Å
• b: 15.823 ± 0.003 Å
• c: 16.375 ± 0.003 Å
• α: 97.72 ± 0.03°
• β: 102.28 ± 0.03°
• γ: 101.94 ± 0.03°
• Cell volume: 3562.6 ± 1.4 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections: 0.3672
• Weighted residual factors for significantly intense reflections: 0.2191
• Goodness-of-fit parameter for all reflections: 1.469
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No