Information card for entry 4300920

Structure parameters

• Formula: C210 H231.5 Mn12 N40 O48
• Calculated formula: C196.44 H185.76 Mn12 N36 O44
• 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: 40.376 ± 0.013 Å
• b: 40.376 ± 0.013 Å
• c: 17.567 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28638 ± 18 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: 0.1347
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2693
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No