Information card for entry 7118685

Structure parameters

• Formula: C37 H48 P2 Pd Si
• Calculated formula: C37 H48 P2 Pd Si
• SMILES: [PdH]12[P](c3c(C2(c2c([P]1(C(C)C)C(C)C)cccc2)[SiH](c1ccccc1)c1ccccc1)cccc3)(C(C)C)C(C)C
• 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: 9.402 ± 0.003 Å
• b: 19.186 ± 0.005 Å
• c: 19.053 ± 0.005 Å
• α: 90°
• β: 93.284 ± 0.005°
• γ: 90°
• Cell volume: 3431.3 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No