Information card for entry 4329847

Structure parameters

• Formula: C62 H73 Mn2 N4 O0.5 P4
• Calculated formula: C62 H73 Mn2 N4 O0.5 P4
• 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: 12.6984 ± 0.0005 Å
• b: 44.44 ± 0.0013 Å
• c: 11.7591 ± 0.0003 Å
• α: 90°
• β: 116.967 ± 0.001°
• γ: 90°
• Cell volume: 5914.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No