Information card for entry 4341253

Structure parameters

• Formula: C79 H69 Fe N3 P6
• Calculated formula: C79 H69 Fe N3 P6
• Title of publication: Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.
• Authors of publication: Frank, Nicolas; Hanau, Katharina; Langer, Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11335 - 11343
• a: 13.137 ± 0.003 Å
• b: 22.186 ± 0.004 Å
• c: 24.594 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7168 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No