Information card for entry 7001456

Structure parameters

• Common name: Bis(cyclopentadienyl)(1-difluoromethyl-2,2- difluorovinyl)chlorotungsten
• Chemical name: Bis(cyclopentadienyl)(1-difluoromethyl-2,2-difluorovinyl)chlorotungsten
• Formula: C13 H11 Cl F4 W
• Calculated formula: C13 H11 Cl F4 W
• SMILES: [W]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)(Cl)(C(=C(F)F)C(F)F)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Hydrometalation of fluoroallenes
• Authors of publication: Kühnel, Moritz F.; Lentz, Dieter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4747 - 4755
• a: 12.97 ± 0.003 Å
• b: 10.859 ± 0.002 Å
• c: 8.7092 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1226.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No