Information card for entry 7118684

Structure parameters

• Formula: C31 H44 P2 Pd Si
• Calculated formula: C31 H44 P2 Pd Si
• SMILES: [PdH]12C([SiH2]c3ccccc3)(c3c([P]1(C(C)C)C(C)C)cccc3)c1ccccc1[P]2(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: 17.0258 ± 0.0007 Å
• b: 18.6108 ± 0.0008 Å
• c: 19.0877 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6048.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No