Information card for entry 7210679

Structure parameters

• Formula: C66 H46 Mn3 N12 O12
• Calculated formula: C66 H46 Mn3 N12 O12
• Title of publication: Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers
• Authors of publication: Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3031
• a: 11.336 ± 0.005 Å
• b: 12.249 ± 0.005 Å
• c: 13.784 ± 0.005 Å
• α: 85.864 ± 0.005°
• β: 67.811 ± 0.005°
• γ: 74.415 ± 0.005°
• Cell volume: 1706.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No