Information card for entry 7701718

Structure parameters

• Formula: C127 H154 Cl8 Mn18 N6 O51 Sr
• Calculated formula: C127 H154.001 Cl8 Mn18 N6 O51 Sr
• 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: 20.6642 ± 0.0008 Å
• b: 20.6642 ± 0.0008 Å
• c: 35.2511 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13035.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No