Information card for entry 7030276

Structure parameters

• Chemical name: cis-tetrafluoro-bis(N,N-dimethylformamide)-hafnium(IV)
• Formula: C6 H14 F4 Hf N2 O2
• Calculated formula: C6 H14 F4 Hf N2 O2
• SMILES: C(=[O][Hf](F)(F)(F)(F)[O]=CN(C)C)N(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: 13.591 ± 0.003 Å
• b: 7.2522 ± 0.0012 Å
• c: 11.6584 ± 0.0019 Å
• α: 90°
• β: 100.919 ± 0.007°
• γ: 90°
• Cell volume: 1128.3 ± 0.4 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: 0.0367
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No