Information card for entry 7030278

Structure parameters

• Chemical name: bis(2,2'-bipyridine-N,N')tetrafluorozirconium(IV)
• Formula: C20 H16 F4 N4 Zr
• Calculated formula: C20 H16 F4 N4 Zr
• SMILES: [Zr]12(F)(F)(F)(F)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1
• 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: 12.991 ± 0.004 Å
• b: 13.134 ± 0.004 Å
• c: 11.714 ± 0.004 Å
• α: 90°
• β: 100.919 ± 0.007°
• γ: 90°
• Cell volume: 1962.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No