Information card for entry 4349441

Structure parameters

• Formula: C79 H79 Fe N2 O2
• Calculated formula: C79.01 H79.024 Fe N2 O2
• 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: 13.5378 ± 0.0005 Å
• b: 15.9959 ± 0.0006 Å
• c: 33.2047 ± 0.0013 Å
• α: 90°
• β: 100.812 ± 0.0009°
• γ: 90°
• Cell volume: 7062.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No