Information card for entry 7030279

Structure parameters

• Chemical name: cis-tetrafluoro-bis(trimethylphosphane oxide)hafnium(IV)
• Formula: C6 H18 F4 Hf O2 P2
• Calculated formula: C6 H18 F4 Hf O2 P2
• SMILES: [Hf](F)(F)(F)(F)([O]=P(C)(C)C)[O]=P(C)(C)C
• Title of publication: Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.
• Authors of publication: Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12548 - 12557
• a: 18.932 ± 0.007 Å
• b: 12.701 ± 0.005 Å
• c: 14.612 ± 0.005 Å
• α: 90°
• β: 128.905 ± 0.011°
• γ: 90°
• Cell volume: 2734.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0758
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No