Information card for entry 7236286

Structure parameters

• Formula: C104 H82 Mn7 N8 O44
• Calculated formula: C104 H76 Mn7 N8 O44
• Title of publication: Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties
• Authors of publication: Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 7217
• a: 13.136 ± 0.003 Å
• b: 14.882 ± 0.003 Å
• c: 15.283 ± 0.003 Å
• α: 116.26 ± 0.03°
• β: 93.42 ± 0.03°
• γ: 108.77 ± 0.03°
• Cell volume: 2464 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No