Information card for entry 4341252

Structure parameters

• Formula: C75.5 H67 Fe N3 P6
• Calculated formula: C75.5 H67 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: 12.502 ± 0.003 Å
• b: 14.942 ± 0.003 Å
• c: 18.299 ± 0.004 Å
• α: 94.91 ± 0.03°
• β: 101.53 ± 0.03°
• γ: 106.56 ± 0.03°
• Cell volume: 3173.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No