Information card for entry 7040919

Structure parameters

• Chemical name: Compound_8
• Formula: C21 H19 F3 Ge
• Calculated formula: C21 H19 F3 Ge
• SMILES: [Ge](CCC(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Competing reaction pathways of 3,3,3-trifluoropropene at rhodium hydrido, silyl and germyl complexes: C-F bond activation versus hydrogermylation.
• Authors of publication: Ahrens, Theresia; Teltewskoi, Michael; Ahrens, Mike; Braun, Thomas; Laubenstein, Reik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17495 - 17507
• a: 16.3551 ± 0.0013 Å
• b: 14.7943 ± 0.001 Å
• c: 7.4616 ± 0.0006 Å
• α: 90°
• β: 90.874 ± 0.003°
• γ: 90°
• Cell volume: 1805.2 ± 0.2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 4
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No