Information card for entry 4330436

Structure parameters

• Formula: C127 H104 B Fe N0 O4 P3
• Calculated formula: C127 H104 B Fe O4 P3
• 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: 14.9321 ± 0.0003 Å
• b: 16.502 ± 0.0004 Å
• c: 21.5928 ± 0.0006 Å
• α: 83.028 ± 0.002°
• β: 81.361 ± 0.001°
• γ: 67.694 ± 0.001°
• Cell volume: 4854.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No