Information card for entry 7118691

Structure parameters

• Formula: C43 H52 Ge P2 Pd
• Calculated formula: C43 H52 Ge P2 Pd
• SMILES: [Pd]12([P](C(C)C)(C(C)C)c3c(C2c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.6399 ± 0.0015 Å
• b: 19.396 ± 0.003 Å
• c: 17.6306 ± 0.0018 Å
• α: 90°
• β: 105.713 ± 0.002°
• γ: 90°
• Cell volume: 3831.7 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No