Information card for entry 4300914

Structure parameters

• Formula: C45 H45 Mn3 N9 O10
• Calculated formula: C45 H45 Mn3 N9 O10
• 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: 40.6327 ± 0.0003 Å
• b: 40.6327 ± 0.0003 Å
• c: 17.6171 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29086.1 ± 0.4 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: 0.147
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.4173
• Weighted residual factors for all reflections included in the refinement: 0.4447
• Goodness-of-fit parameter for all reflections included in the refinement: 2.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No