Information card for entry 1557258

Structure parameters

• Common name: mu3-Carbonatotris{1,4,7,10-tetraazabicyclo[5.5.3]pentadecanecopper(II)}
• Formula: C34 H76 Cl4 Cu3 N12 O21
• Calculated formula: C34 Cl4 Cu3 N12 O22
• Title of publication: Synthesis and Crystal Structure of a Compound with Three [24.31]Adamanzanecopper(II) Species Coordinated to One Carbonate Ion, mu3-Carbonatotris{1,4,7,10-tetraazabicyclo[5.5.3]pentadecanecopper(II)} Perchlorate Dihydrate.
• Authors of publication: Springborg, Johan; Glerup, Jorgen; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 832 - 838
• a: 13.093 ± 0.003 Å
• b: 13.093 ± 0.003 Å
• c: 8.631 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1281.4 ± 0.5 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No