Information card for entry 4309864

Structure parameters

• Formula: C42 H52 Cl4 Fe I6 N4
• Calculated formula: C42 H52 Cl4 Fe I6 N4
• 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: 11.742 ± 0.005 Å
• b: 13.001 ± 0.005 Å
• c: 17.686 ± 0.005 Å
• α: 85.904 ± 0.005°
• β: 72.965 ± 0.005°
• γ: 72.1 ± 0.005°
• Cell volume: 2456 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No