Information card for entry 7030280

Structure parameters

• Chemical name: tris(1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium) tri(mu~2~-fluoro)dodecafluorotrizirconium(IV) tetrahydrofuran solvate dichloromethane solvate
• Formula: C97.55 H144.1 Cl1.1 F15 N6 O4 Zr3
• Calculated formula: C97.55 H144.1 Cl1.1 F15 N6 O4 Zr3
• 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: 15.935 ± 0.004 Å
• b: 17.24 ± 0.004 Å
• c: 21.679 ± 0.007 Å
• α: 81.698 ± 0.016°
• β: 85.337 ± 0.017°
• γ: 66.454 ± 0.013°
• Cell volume: 5401 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No