Information card for entry 4300933

Structure parameters

• Formula: C54 H64 Mn3 N9 O10
• Calculated formula: C54 H64 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: 40.873 ± 0.002 Å
• b: 40.873 ± 0.002 Å
• c: 17.4993 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29234 ± 3 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: 0.1402
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No