Information card for entry 2003641

Structure parameters

• Chemical name: Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate
• Formula: C44 H32 Cl Fe N4 O6
• Calculated formula: C44 H32 Cl Fe N4 O6
• Title of publication: Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~
• Authors of publication: Cheng, B.; Scheidt, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1271 - 1275
• a: 10.33 ± 0.001 Å
• b: 24.092 ± 0.001 Å
• c: 21.543 ± 0.001 Å
• α: 90°
• β: 97.89 ± 0.01°
• γ: 90°
• Cell volume: 5310.7 ± 0.6 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.1657
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No