Information card for entry 7220010

Structure parameters

• Formula: C112 H98 Mn5 O44
• Calculated formula: C108 H74 Mn5 O38
• Title of publication: A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties
• Authors of publication: Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3181
• a: 16.7488 ± 0.0009 Å
• b: 12.8214 ± 0.0009 Å
• c: 30.458 ± 0.002 Å
• α: 90°
• β: 116.084 ± 0.004°
• γ: 90°
• Cell volume: 5874.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No