Information card for entry 2216675

Structure parameters

• Chemical name: Dichlorido(η^5^-cyclopentadienyl)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>'- ({(2,6-dimethylphenyl)[imino(phenyl)methyl- κN]amino}dimethylsilyl)benzamidinato-κ^2^<i>N</i>,<i>N</i>']zirconium(IV) dichloromethane monosolvate
• Formula: C38 H42 Cl4 N4 Si Zr
• Calculated formula: C38 H42 Cl4 N4 Si Zr
• SMILES: [Zr]123456(Cl)(Cl)(N(c7c(cccc7C)C)C(=[N]1[Si](N(c1c(cccc1C)C)C(=[NH]2)c1ccccc1)(C)C)c1ccccc1)[cH]1[cH]3[cH]6[cH]5[cH]41.C(Cl)Cl
• Title of publication: Dichlorido(η^5^-cyclopentadienyl)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>'-({(2,6-dimethylphenyl)[imino(phenyl)methyl-κ<i>N</i>]amino}dimethylsilyl)benzamidinato-κ^2^<i>N</i>,<i>N</i>']zirconium(IV) dichloromethane solvate
• Authors of publication: Li, Jing; Bai, Sheng-Di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3111 - m3111
• a: 9.5134 ± 0.0013 Å
• b: 15.206 ± 0.002 Å
• c: 15.369 ± 0.002 Å
• α: 115.042 ± 0.002°
• β: 103.692 ± 0.002°
• γ: 92.069 ± 0.002°
• Cell volume: 1933.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes