Information card for entry 7118436

Structure parameters

• Formula: C43 H52 Ni P2 Si
• Calculated formula: C43 H52 Ni P2 Si
• SMILES: [Ni]12([P](C(C)C)(C(C)C)c3ccccc3C2c2ccccc2[P]1(C(C)C)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.91 ± 0.0005 Å
• b: 15.492 ± 0.0004 Å
• c: 19.254 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3850.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No