Information card for entry 4330426

Structure parameters

• Formula: C49.98 H54.85 B Cl0.25 F4.53 Fe N1.94 O1.25 P3.76
• Calculated formula: C49.9728 H54.8296 B Cl0.2432 F4.5408 Fe N1.942 O1.2432 P3.7568
• 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: 11.7898 ± 0.0009 Å
• b: 12.1629 ± 0.001 Å
• c: 18.527 ± 0.0015 Å
• α: 73.97 ± 0.002°
• β: 79.367 ± 0.001°
• γ: 74.241 ± 0.001°
• Cell volume: 2440.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No