Information card for entry 7118431

Structure parameters

• Formula: C43 H52 Ni P2 Si
• Calculated formula: C43 H52 Ni P2 Si
• SMILES: [NiH]12[P](C(C)C)(C(C)C)c3c(C2([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3
• Title of publication: Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.
• Authors of publication: LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1361 - 1364
• a: 20.474 ± 0.004 Å
• b: 22.468 ± 0.004 Å
• c: 17.673 ± 0.003 Å
• α: 90°
• β: 110.92 ± 0.03°
• γ: 90°
• Cell volume: 7594 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No