Information card for entry 7701717

Structure parameters

• Formula: C137 H184 Br8 Mn19 N10 O53
• Calculated formula: C137 H184 Br8 Mn19 N10 O53
• Title of publication: Synthesis of new Mn₁₉ analogues and their structural, electrochemical and catalytic properties.
• Authors of publication: Chevallot-Beroux, Elodie; Ako, Ayuk M.; Schmitt, Wolfgang; Twamley, Brendan; Moran, Joseph; Corinne, Boudon; Ruhlmann, Laurent; Mameri, Samir
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4830 - 4836
• a: 14.5936 ± 0.0005 Å
• b: 33.0583 ± 0.0011 Å
• c: 17.6608 ± 0.0006 Å
• α: 90°
• β: 92.961 ± 0.001°
• γ: 90°
• Cell volume: 8508.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0512
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No