Information card for entry 7037476

Structure parameters

• Formula: C84 H19 Br16 F30 Fe2 N10 O2
• Calculated formula: C84 H19 Br16 F30 Fe2 N10 O2
• Title of publication: Ligand noninnocence in FeNO corroles: insights from β-octabromocorrole complexes.
• Authors of publication: Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Gagnon, Kevin J.; Beavers, Christine M.; Vazquez-Lima, Hugo; Ghosh, Abhik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 681 - 689
• a: 13.667 ± 0.003 Å
• b: 16.679 ± 0.003 Å
• c: 20.152 ± 0.004 Å
• α: 74.769 ± 0.003°
• β: 86.755 ± 0.003°
• γ: 88.903 ± 0.003°
• Cell volume: 4425.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No