Information card for entry 2004910

Structure parameters

• Common name: Dichlorophenyl imino Zirconium dimer THF adduct
• Chemical name: Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV)
• Formula: C28 H42 Cl4 N2 O4 Zr2
• Calculated formula: C28 H42 Cl4 N2 O4 Zr2
• SMILES: c1(ccccc1)N1[Zr]([O]2CCCC2)(N(c2ccccc2)[Zr]1([O]1CCCC1)(Cl)([O]1CCCC1)Cl)([O]1CCCC1)(Cl)Cl
• Title of publication: A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran
• Authors of publication: Polamo, M.; Mutikainen, I.; Leskelä, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1082 - 1084
• a: 9.431 ± 0.002 Å
• b: 11.27 ± 0.002 Å
• c: 15.781 ± 0.003 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 1677 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.0871
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No