Information card for entry 7035969

Structure parameters

• Chemical name: [Mo(CO)4{(CF3CF=CF)2PCH2CH2P(CF=CFCF3)2}]
• Formula: C18 H4 F20 Mo O4 P2
• Calculated formula: C18 H4 F20 Mo O4 P2
• SMILES: [Mo]1(C#[O])(C#[O])([P](C(=C(C(F)(F)F)\F)\F)(/C(=C(\C(F)(F)F)F)F)CC[P]1(/C(=C(\C(F)(F)F)F)F)C(=C(C(F)(F)F)\F)\F)(C#[O])C#[O]
• Title of publication: Perfluoropropenyl-containing phosphines from HFC replacements.
• Authors of publication: Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19717 - 19731
• a: 10.222 ± 0.001 Å
• b: 13.9344 ± 0.0007 Å
• c: 18.7749 ± 0.0017 Å
• α: 90°
• β: 100.202 ± 0.009°
• γ: 90°
• Cell volume: 2632 ± 0.4 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No