Information card for entry 4329853

Structure parameters

• Formula: C27 H63 Cl Fe2 N3 P3
• Calculated formula: C27 H63 Cl Fe2 N3 P3
• SMILES: [Fe]123[Fe](Cl)([P](N2C(C)C)(C(C)C)C(C)C)([P](N3C(C)C)(C(C)C)C(C)C)N(C(C)C)[P]1(C(C)C)C(C)C
• Title of publication: Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties
• Authors of publication: Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8225 - 8240
• a: 11.3057 ± 0.0004 Å
• b: 17.9804 ± 0.0007 Å
• c: 18.6204 ± 0.0007 Å
• α: 101.656 ± 0.002°
• β: 91.054 ± 0.002°
• γ: 107.739 ± 0.002°
• Cell volume: 3517.9 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0821
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No