Information card for entry 4512272

Structure parameters

• Formula: C24 H48 Cu5 O47
• Calculated formula: C24 H44 Cu5 O47
• 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: 27.35 ± 0.002 Å
• b: 9.5383 ± 0.0006 Å
• c: 18.5428 ± 0.0016 Å
• α: 90°
• β: 113.005 ± 0.01°
• γ: 90°
• Cell volume: 4452.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No