Information card for entry 1551578

Structure parameters

• Formula: C72 H72 Cl7 Fe N6 O6
• Calculated formula: C72 H72 Cl7 Fe N6 O6
• Title of publication: Crystal Structure of a Six-coordinated [5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrinato-<i>k</i>⁴<i>N</i>]iron(III) Complex with Two 3,5-Dimethylpyridine <i>N</i>-Oxides
• Authors of publication: IDE, Yuki; HOSODA, Haruka; ISHIMAE, Hiroki; MORI, Shigeki; IKEUE, Takahisa
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 49
• a: 15.2889 ± 0.0004 Å
• b: 15.8587 ± 0.0004 Å
• c: 16.2403 ± 0.0005 Å
• α: 84.596 ± 0.002°
• β: 63.769 ± 0.003°
• γ: 84.162 ± 0.002°
• Cell volume: 3508.49 ± 0.19 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: 0.1012
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No