Information card for entry 4329851

Structure parameters

• Formula: C34 H58 Fe2 I2 N2 O P2
• Calculated formula: C34 H58 Fe2 I2 N2 O P2
• SMILES: [Fe]123([Fe]([I]1)(I)([P](N2c1c(C)cc(C)cc1C)(C(C)C)C(C)C)[P](N3c1c(C)cc(C)cc1C)(C(C)C)C(C)C)[O]1CCCC1
• 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: 9.3067 ± 0.0006 Å
• b: 10.8588 ± 0.0008 Å
• c: 21.188 ± 0.0015 Å
• α: 104.534 ± 0.003°
• β: 93.88 ± 0.003°
• γ: 106.983 ± 0.003°
• Cell volume: 1959.2 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No