Information card for entry 2240021

Structure parameters

• Formula: C48 H36 Mn N5
• Calculated formula: C48 H36 Mn N5
• Title of publication: 5,10,15,20-tetrakis-tetratolylporphyrinatonitridomanganese(V)
• Authors of publication: Shields, Mason R.; Guzei, Ilia A.; Goll, James G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 242 - 245
• a: 14.2619 ± 0.001 Å
• b: 8.62 ± 0.0011 Å
• c: 15.4685 ± 0.0018 Å
• α: 90°
• β: 94.188 ± 0.007°
• γ: 90°
• Cell volume: 1896.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes