Information card for entry 4349440

Structure parameters

• Formula: C82.25 H72 Cl Fe N2 O
• Calculated formula: C82.243 H71.992 Cl Fe N2 O
• Title of publication: Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange.
• Authors of publication: Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5892 - 5901
• a: 11.923 ± 0.008 Å
• b: 16.423 ± 0.011 Å
• c: 18.089 ± 0.012 Å
• α: 102.981 ± 0.012°
• β: 99.966 ± 0.011°
• γ: 105.871 ± 0.011°
• Cell volume: 3214 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No