Information card for entry 7008277

Structure parameters

• Common name: (Zr2(mu-NC6F5)2Cl6(THF)2)(Li(thf)3)2
• Chemical name: [Zr2(mu-NC6F5)2Cl6(THF)2][Li(thf)3]2
• Formula: C44 H64 Cl6 F10 Li2 N2 O8 Zr2
• Calculated formula: C44 H64 Cl6 F10 Li2 N2 O8 Zr2
• SMILES: Cl[Zr]1(N(c2c(c(c(c(c2F)F)F)F)F)[Zr](N1c1c(c(c(c(c1F)F)F)F)F)([O]1CCCC1)(Cl)(Cl)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)(Cl)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: New and versatile routes to zirconium imido dichloride compounds.
• Authors of publication: Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1448 - 1458
• a: 10.3615 ± 0.0002 Å
• b: 11.762 ± 0.0002 Å
• c: 11.9942 ± 0.0002 Å
• α: 93.973 ± 0.001°
• β: 97.234 ± 0.001°
• γ: 106.173 ± 0.0008°
• Cell volume: 1384.36 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections included in the refinement: 0.0278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No