Information card for entry 4330435

Structure parameters

• Formula: C52 H51 B Fe O2 P3
• Calculated formula: C52 H51 B Fe O2 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: 10.1285 ± 0.0001 Å
• b: 39.172 ± 0.0005 Å
• c: 11.7611 ± 0.0001 Å
• α: 90°
• β: 111.196 ± 0.001°
• γ: 90°
• Cell volume: 4350.58 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No