Information card for entry 4512269

Structure parameters

• Formula: C12 H34 K2 Ni2 O29
• Calculated formula: C12 H34 K2 Ni2 O29
• 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: 6.7014 ± 0.0002 Å
• b: 19.2147 ± 0.0006 Å
• c: 23.0383 ± 0.0006 Å
• α: 90°
• β: 92.119 ± 0.003°
• γ: 90°
• Cell volume: 2964.51 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No