Information card for entry 4319364

Structure parameters

• Formula: C40 H100 Cl4 Cu4 N12 O26
• Calculated formula: C40 H92 Cl4 Cu4 N12 O26
• 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: 9.4888 ± 0.0008 Å
• b: 13.353 ± 0.001 Å
• c: 15.329 ± 0.001 Å
• α: 110.25 ± 0.007°
• β: 90.068 ± 0.008°
• γ: 105.081 ± 0.008°
• Cell volume: 1750.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No