Information card for entry 7239200

Structure parameters

• Formula: C72 H46 Mn3 N13 O13
• Calculated formula: C72 H46 Mn3 N13 O13
• Title of publication: Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid
• Authors of publication: Yu, Meihui; Hu, Ming; Wu, Zhenting
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 25175
• a: 13.2892 ± 0.001 Å
• b: 14.1229 ± 0.0009 Å
• c: 21.3956 ± 0.0015 Å
• α: 83.245 ± 0.002°
• β: 83.276 ± 0.002°
• γ: 78.905 ± 0.002°
• Cell volume: 3894.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No