Information card for entry 7211060

Structure parameters

• Formula: C81 H96 Mn3 N5 O26.5
• Calculated formula: C72 H68 Mn3 N2 O22
• Title of publication: Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid
• Authors of publication: Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8989
• a: 16.1796 ± 0.0015 Å
• b: 19.1505 ± 0.0017 Å
• c: 19.5848 ± 0.0012 Å
• α: 112.451 ± 0.002°
• β: 93.548 ± 0.003°
• γ: 104.215 ± 0.002°
• Cell volume: 5353.9 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No