Information card for entry 4325475

Structure parameters

• Formula: C50 H33 Mn N4 O3
• Calculated formula: C50 H33 Mn N4 O3
• SMILES: c12c3c(c4C(=c5ccc6=C(c7ccc(=C(c8n2c(c3c2ccccc2)cc8)c2ccccc2)[n]7[Mn]([n]14)(n56)(C#[O])(C#[O])C#[O])c1ccccc1)c1ccccc1)CCC
• 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: 10.516 ± 0.002 Å
• b: 12.572 ± 0.003 Å
• c: 16.811 ± 0.004 Å
• α: 73.23 ± 0.004°
• β: 78.966 ± 0.004°
• γ: 86.013 ± 0.004°
• Cell volume: 2088.4 ± 0.8 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: 0.182
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No