Information card for entry 4512266

Structure parameters

• Formula: C12 H36 Co3 O30
• Calculated formula: C12 H36 Co3 O30
• Title of publication: Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?
• Authors of publication: Clegg, William; Holcroft, James M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6282
• a: 17.0348 ± 0.0011 Å
• b: 8.4649 ± 0.0005 Å
• c: 20.0674 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No