Information card for entry 4309862

Structure parameters

• Formula: C111 H128 Cl2 Fe2 N13
• Calculated formula: C111 H128 Cl2 Fe2 N13
• Title of publication: Direct Incorporation of a Ferric Ion in the Porphyrinogen Core: Tetrakis(cyclohexyl)iron Porphyrinogen Anion with Different Conformers and Its Reaction with Iodine
• Authors of publication: Dibyendu Bhattacharya; Soumen Dey; Suman Maji; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7699 - 7701
• a: 11.696 ± 0.005 Å
• b: 16.749 ± 0.005 Å
• c: 24.767 ± 0.005 Å
• α: 90.663 ± 0.005°
• β: 96.54 ± 0.005°
• γ: 95.869 ± 0.005°
• Cell volume: 4794 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1412
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No