Information card for entry 7118435

Structure parameters

• Formula: C31 H42 Ni O P2
• Calculated formula: C31 H42 Ni O P2
• SMILES: C12c3c(cccc3)[P](C(C)C)(C(C)C)[Ni]2(Oc2ccccc2)[P](c2c1cccc2)(C(C)C)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: 30.7146 ± 0.0004 Å
• b: 10.0835 ± 0.0001 Å
• c: 20.284 ± 0.0003 Å
• α: 90°
• β: 114.295 ± 0.001°
• γ: 90°
• Cell volume: 5725.82 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No