Information card for entry 2311596

Structure parameters

• Chemical name: μ-Oxido-bis[(5,10,15,20-tetraphenylporphyrinato)iron(III)]
• Formula: C88 H56 Fe2 N8 O
• Calculated formula: C87.99 H55.99 Fe2 N8 O
• Title of publication: Crystal structure of a polymorph of <i>μ</i>-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].
• Authors of publication: Peters, Morten K.; Näther, Christian; Herges, Rainer
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: Pt 6
• Pages of publication: 930 - 933
• a: 14.4477 ± 0.0004 Å
• b: 14.5325 ± 0.0004 Å
• c: 17.9076 ± 0.0005 Å
• α: 71.266 ± 0.002°
• β: 75.725 ± 0.002°
• γ: 70.506 ± 0.002°
• Cell volume: 3315.42 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No