Information card for entry 4078247

Structure parameters

• Formula: C36 H58 Ni2 P2 Si
• Calculated formula: C36 H58 Ni2 P2 Si
• SMILES: [Ni]123([Ni]4([Si]1(c1ccccc1)(c1ccccc1)[H]3)([P](C(C)C)(C(C)C)C(C)C)[C]12C=CC=C[CH]4=1)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation
• Authors of publication: Beck, Robert; Johnson, Samuel A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3599
• a: 15.2973 ± 0.0018 Å
• b: 15.2853 ± 0.0018 Å
• c: 17.426 ± 0.002 Å
• α: 90°
• β: 117.461 ± 0.001°
• γ: 90°
• Cell volume: 3615.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1096
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No