Information card for entry 7118689

Structure parameters

• Formula: C31 H44 Ge P2 Pd
• Calculated formula: C31 H44 Ge P2 Pd
• SMILES: [Pd]12([GeH2]c3ccccc3)[P](c3c(C2c2c([P]1(C(C)C)C(C)C)cccc2)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: 8.3636 ± 0.0003 Å
• b: 10.0092 ± 0.0004 Å
• c: 18.4078 ± 0.0007 Å
• α: 94.2185 ± 0.0011°
• β: 93.3363 ± 0.0011°
• γ: 100.776 ± 0.0011°
• Cell volume: 1505.62 ± 0.1 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: 0.0412
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No