Information card for entry 4301676

Structure parameters

• Common name: [SiPiPr3]NiCl
• Formula: C42 H60 Cl Ni P3 Si
• Calculated formula: C42 H60 Cl Ni P3 Si
• SMILES: [Ni]123([P](C(C)C)(C(C)C)c4ccccc4[Si]3(c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)Cl.c1ccccc1
• 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: 12.916 ± 0.004 Å
• b: 15.54 ± 0.003 Å
• c: 20.13 ± 0.005 Å
• α: 90°
• β: 92.32 ± 0.03°
• γ: 90°
• Cell volume: 4037.1 ± 1.8 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: 0.1087
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No