Information card for entry 4300917

Structure parameters

• Formula: C64 H62.67 Mn4 N12 O16
• Calculated formula: C64 H62.6667 Mn4 N12 O16
• 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: 39.916 ± 0.004 Å
• b: 39.916 ± 0.004 Å
• c: 18.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28732 ± 5 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: 0.1065
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No