Information card for entry 4330429

Structure parameters

• Formula: C49 H56 B F6 Fe N3 O P4
• Calculated formula: C49.004 H56.008 B F6 Fe N3 O1.001 P4
• Title of publication: Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species
• Authors of publication: Caroline T. Saouma; Connie C. Lu; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10043 - 10054
• a: 11.7861 ± 0.0009 Å
• b: 12.1742 ± 0.0009 Å
• c: 18.5366 ± 0.0014 Å
• α: 74.054 ± 0.001°
• β: 79.463 ± 0.001°
• γ: 74.345 ± 0.001°
• Cell volume: 2445.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No