Information card for entry 7045170

Structure parameters

• Formula: C46 H54 Mn5 O38
• Calculated formula: C46 H54 Mn5 O38
• Title of publication: Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.
• Authors of publication: Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1682 - 1692
• a: 17.715 ± 0.008 Å
• b: 21.652 ± 0.01 Å
• c: 7.406 ± 0.004 Å
• α: 90°
• β: 95.535 ± 0.008°
• γ: 90°
• Cell volume: 2827 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No