Information card for entry 7118688

Structure parameters

• Formula: C31 H49 B O2 P2 Pd
• Calculated formula: C31 H49 B O2 P2 Pd
• SMILES: [PdH]12C(B3OC(C)(C)C(O3)(C)C)(c3ccccc3[P]1(C(C)C)C(C)C)c1c([P]2(C(C)C)C(C)C)cccc1
• 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: 17.3966 ± 0.001 Å
• b: 10.0819 ± 0.0006 Å
• c: 19.8141 ± 0.0011 Å
• α: 90°
• β: 115.896 ± 0.0018°
• γ: 90°
• Cell volume: 3126.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No