Information card for entry 7128197

Structure parameters

• Formula: C48 H33 F5 Ge P2 Pd
• Calculated formula: C48 H33 F5 Ge P2 Pd
• SMILES: [Pd]12([Ge](c3ccccc3)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.
• Authors of publication: Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 41
• Pages of publication: 5004 - 5007
• a: 12.4393 ± 0.0005 Å
• b: 18.8866 ± 0.0006 Å
• c: 18.6647 ± 0.0008 Å
• α: 90°
• β: 109.172 ± 0.0016°
• γ: 90°
• Cell volume: 4141.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No