Information card for entry 7030277

Structure parameters

• Chemical name: cis-tetrafluoro-bis(triphenylarsine oxide)zirconium(IV)
• Formula: C38 H34 As2 Cl4 F4 O2 Zr
• Calculated formula: C38 H34 As2 Cl4 F4 O2 Zr
• SMILES: c1(ccccc1)[As](c1ccccc1)(=[O][Zr](F)(F)(F)(F)[O]=[As](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 15.175 ± 0.005 Å
• b: 16.254 ± 0.006 Å
• c: 16.34 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4030 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No