Information card for entry 4512271

Structure parameters

• Formula: C12 H26 Cu2 K2 O25
• Calculated formula: C12 H25.42 Cu2 K2 O25
• 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: 19.4561 ± 0.001 Å
• b: 12.511 ± 0.0006 Å
• c: 21.4202 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5214 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No