Information card for entry 7118432

Structure parameters

• Formula: C46 H58 Ni P2 Si
• Calculated formula: C46 H58 Ni P2 Si
• SMILES: C12(c3c(cccc3)[P](C(C)C)(C(C)C)[NiH]2[P](c2c1cccc2)(C(C)C)C(C)C)[Si](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
• 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: 15.1784 ± 0.0002 Å
• b: 13.3439 ± 0.0002 Å
• c: 21.4058 ± 0.0003 Å
• α: 90°
• β: 110.73 ± 0.001°
• γ: 90°
• Cell volume: 4054.82 ± 0.1 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: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No