Information card for entry 7118686

Structure parameters

• Formula: C43 H52 P2 Pd Si
• Calculated formula: C43 H52 P2 Pd Si
• SMILES: [PdH]12[P](C(C)C)(C(C)C)c3c(C2(c2c(cccc2)[P]1(C(C)C)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)cccc3
• Title of publication: E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.
• Authors of publication: Comanescu, Cezar C.; Iluc, Vlad M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9048 - 9051
• a: 9.5894 ± 0.0006 Å
• b: 10.6642 ± 0.0007 Å
• c: 19.5486 ± 0.0013 Å
• α: 78.851 ± 0.003°
• β: 76.192 ± 0.003°
• γ: 76.697 ± 0.002°
• Cell volume: 1868.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No