Information card for entry 4321091

Structure parameters

• Formula: C63 H89 Mn3 N16 O17
• Calculated formula: C57.58 H58.58 Mn3 N16 O14.58
• Title of publication: Three-Dimensional Framework Constructed Using Nanometer-Sized Metallamacrocycle as a Secondary Building Unit
• Authors of publication: Mooshin Moon; Inhoe Kim; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2710 - 2711
• a: 40.352 ± 0.013 Å
• b: 40.352 ± 0.013 Å
• c: 17.813 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29005 ± 19 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 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: 0.0939
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No