Information card for entry 4330424

Structure parameters

• Formula: C47 H48 B Fe N2 P3
• Calculated formula: C47 H48 B Fe N2 P3
• SMILES: [Fe]123(N[N]2(C)C)[P](C[B](c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.294 ± 0.003 Å
• b: 22.458 ± 0.005 Å
• c: 13.418 ± 0.003 Å
• α: 90°
• β: 94.24 ± 0.03°
• γ: 90°
• Cell volume: 3995.1 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No