Information card for entry 4307836

Structure parameters

• Common name: [(C30H24N6O12Zn6)(CH3CO2)5(OH)](MeOH)3(H2O)1.5
• Formula: C43 H55 N6 O27.5 Zn6
• Calculated formula: C43 H55 N6 O27.5 Zn6
• Title of publication: Core/Shell Oligometallic Template Synthesis of Macrocyclic Hexaoxime
• Authors of publication: Shigehisa Akine; Shuichi Sunaga; Takanori Taniguchi; Hayato Miyazaki; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2959 - 2961
• a: 14.503 ± 0.005 Å
• b: 18.608 ± 0.005 Å
• c: 21.841 ± 0.006 Å
• α: 101.521 ± 0.01°
• β: 99.117 ± 0.012°
• γ: 96.2 ± 0.01°
• Cell volume: 5643 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No