Information card for entry 4325476

Structure parameters

• Formula: C51 H35 Mn N4 O3
• Calculated formula: C51 H35 Mn N4 O3
• Title of publication: Synthesis, Reactivity, and Properties of N-Fused Porphyrin Manganese(I) Tricarbonyl Complexes
• Authors of publication: Shinya Ikeda; Motoki Toganoh; Hiroyuki Furuta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6029 - 6043
• a: 11.079 ± 0.009 Å
• b: 12.993 ± 0.011 Å
• c: 16.504 ± 0.014 Å
• α: 67.149 ± 0.017°
• β: 78.73 ± 0.02°
• γ: 87.872 ± 0.018°
• Cell volume: 2145 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No