Information card for entry 2215485

Structure parameters

• Chemical name: Dichlorido-[<it>N</it>,<it>N</it>'-bis(2,6-dimethylphenyl)pentane-2,4- diiminato](cyclopentadienyl)zirconium(IV)
• Formula: C26 H30 Cl2 N2 Zr
• Calculated formula: C26 H30 Cl2 N2 Zr
• SMILES: [Zr]12345(Cl)(Cl)(N(C(C)=CC(=[N]1c1c(cccc1C)C)C)c1c(cccc1C)C)[cH]1[cH]5[cH]2[cH]3[cH]41
• Title of publication: Dichlorido-[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato](cyclopentadienyl)zirconium(IV)
• Authors of publication: Verguet, Emilie; Oguadinma, Paul O.; Schaper, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2541 - m2541
• a: 10.0163 ± 0.0003 Å
• b: 10.599 ± 0.0004 Å
• c: 13.1392 ± 0.0005 Å
• α: 73.803 ± 0.001°
• β: 78.869 ± 0.002°
• γ: 66.178 ± 0.001°
• Cell volume: 1220.27 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes