Information card for entry 4300927

Structure parameters

• Formula: C61 H75 Mn3 N10 O12
• Calculated formula: C61 H75 Mn3 N10 O12
• Title of publication: Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units
• Authors of publication: Dohyun Moon; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1934 - 1940
• a: 40.906 ± 0.005 Å
• b: 40.906 ± 0.005 Å
• c: 17.295 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28940 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No