Information card for entry 7033527

Structure parameters

• Formula: C121 H94 Mn10 N15 O27.5
• Calculated formula: C121 H93 Mn10 N15 O27.5
• Title of publication: Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.
• Authors of publication: Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 2964 - 2969
• a: 28.2948 ± 0.0003 Å
• b: 28.2948 ± 0.0003 Å
• c: 28.2948 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22652.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No