Information card for entry 4301678

Structure parameters

• Common name: (H[SiPiPr3])FeCl2
• Formula: C36 H55 Cl2 Fe P3 Si
• Calculated formula: C36 H55 Cl2 Fe P3 Si
• SMILES: [Fe]1([P](c2c([SiH](c3ccccc3[P]1(C(C)C)C(C)C)c1ccccc1[P](C(C)C)C(C)C)cccc2)(C(C)C)C(C)C)(Cl)Cl
• Title of publication: Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands
• Authors of publication: Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2507 - 2517
• a: 13.0548 ± 0.0019 Å
• b: 13.718 ± 0.003 Å
• c: 22.356 ± 0.006 Å
• α: 90°
• β: 104.102 ± 0.011°
• γ: 90°
• Cell volume: 3883 ± 1.5 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: 0.1255
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No