Information card for entry 1514995

Structure parameters

• Common name: [SiP(iPr)3]Ni-H
• Formula: C36 H55 Cl Ni P3 Si
• Calculated formula: C36 H54.974 Cl0.026 Ni P3 Si
• SMILES: [NiH]123[Si](c4c([P]1(C(C)C)C(C)C)cccc4)(c1c([P]2(C(C)C)C(C)C)cccc1)c1c([P]3(C(C)C)C(C)C)cccc1
• Title of publication: Thermally stable N2 and H2 adducts of cationic nickel(ii)
• Authors of publication: Tsay, Charlene; Peters, Jonas C.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1313
• a: 10.9905 ± 0.0007 Å
• b: 11.1304 ± 0.0007 Å
• c: 16.8144 ± 0.0011 Å
• α: 78.237 ± 0.003°
• β: 79.052 ± 0.003°
• γ: 61.648 ± 0.002°
• Cell volume: 1761.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No