Information card for entry 4329849

Structure parameters

• Formula: C49 H83 Cl Mn2 N3 O P3
• Calculated formula: C49 H83 Cl Mn2 N3 O P3
• SMILES: [Mn]12([Cl][Mn]([P](N1c1c(C)cc(C)cc1C)(C(C)C)C(C)C)([P](N2c1c(C)cc(C)cc1C)(C(C)C)C(C)C)N(c1c(C)cc(C)cc1C)P(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: 8.6509 ± 0.0004 Å
• b: 26.914 ± 0.0011 Å
• c: 21.7536 ± 0.0009 Å
• α: 90°
• β: 91.192 ± 0.002°
• γ: 90°
• Cell volume: 5063.8 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No