Information card for entry 1559271

Structure parameters

• Chemical name: [<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)
• Formula: C25 H29 Cl3 N4 Si Zr
• Calculated formula: C25 H29 Cl3 N4 Si Zr
• SMILES: [Zr]12(Cl)(Cl)(Cl)(N([Si](C)(C)C)C(=[N]1CC[NH]2c1ccccc1)c1ccccc1)[N]#Cc1ccccc1
• Title of publication: [<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)
• Authors of publication: Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170380
• a: 35.83 ± 0.002 Å
• b: 14.292 ± 0.009 Å
• c: 11.057 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5662 ± 5 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes