Information card for entry 4319363

Structure parameters

• Formula: C11 H31 Cl3 Cu N6 O12
• Calculated formula: C11 H31 Cl3 Cu N6 O12.016
• Title of publication: Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes
• Authors of publication: Paul V. Bernhardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1086 - 1092
• a: 8.294 ± 0.002 Å
• b: 18.364 ± 0.003 Å
• c: 15.674 ± 0.003 Å
• α: 90°
• β: 94.73 ± 0.02°
• γ: 90°
• Cell volume: 2379.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.1287
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No