Information card for entry 7118434

Structure parameters

• Formula: C33 H48 Ni P2 Si
• Calculated formula: C33 H48 Ni P2 Si
• SMILES: [NiH]12[P](C(C)C)(c3c(C2([Si](C)(c2ccccc2)C)c2ccccc2[P]1(C(C)C)C(C)C)cccc3)C(C)C
• 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: 18.2625 ± 0.0012 Å
• b: 8.1482 ± 0.0005 Å
• c: 21.5259 ± 0.0018 Å
• α: 90°
• β: 93.717 ± 0.004°
• γ: 90°
• Cell volume: 3196.5 ± 0.4 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: 0.0367
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No