Information card for entry 7040920

Structure parameters

• Chemical name: Compound_7
• Formula: C21 H18 F2 Ge
• Calculated formula: C21 H18 F2 Ge
• SMILES: [Ge](CC=C(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: 9.495 ± 0.0004 Å
• b: 9.7733 ± 0.0004 Å
• c: 10.3171 ± 0.0004 Å
• α: 67.024 ± 0.002°
• β: 83.103 ± 0.002°
• γ: 84.211 ± 0.002°
• Cell volume: 873.54 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No