Information card for entry 4322822

Structure parameters

• Formula: C37 H58 Mn N17 S2
• Calculated formula: C37 H58 Mn N17 S2
• Title of publication: Metal Ion Binding to Octakis(dimethylamino)porphyrazine: Core Coordination of Mn(III) and Peripheral Coordination of Pd(II)
• Authors of publication: David P. Goldberg; Antonio Garrido Montalban; Andrew J. P. White; David J. Williams; Anthony G. M. Barrett; Brian M. Hoffman
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2873 - 2879
• a: 22.48 ± 0.003 Å
• b: 20.128 ± 0.002 Å
• c: 19.423 ± 0.003 Å
• α: 90°
• β: 102.972 ± 0.009°
• γ: 90°
• Cell volume: 8564 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.2205
• Weighted residual factors for significantly intense reflections: 0.1691
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No