Information card for entry 4318792

Structure parameters

• Common name: oxaporphyrin
• Chemical name: 5,10,15,20 - tetraphenyl-21-oxaporphyrin iron(III) complex
• Formula: C44 H28 Cl2 Fe N3 O
• Calculated formula: C44 H28 Cl2 Fe N3 O
• Title of publication: Iron Complexes of 5,10,15,20-Tetraphenyl-21-oxaporphyrin
• Authors of publication: Miłosz Pawlicki; Lechosław Latos-Grażyński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5866 - 5873
• a: 13.524 ± 0.002 Å
• b: 13.524 ± 0.002 Å
• c: 9.763 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No