Information card for entry 2204231

Structure parameters

• Chemical name: μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)]
• Formula: C72 H72 Fe2 N8 O9
• Calculated formula: C72 H72 Fe2 N8 O9
• Title of publication: μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)]
• Authors of publication: Cheng, Lin; Lee, Jonghyuk; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1340 - m1342
• a: 8.9496 ± 0.0006 Å
• b: 15.1684 ± 0.0012 Å
• c: 24.86 ± 0.002 Å
• α: 107.509 ± 0.002°
• β: 91.601 ± 0.002°
• γ: 100.455 ± 0.002°
• Cell volume: 3152.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No