Information card for entry 2237367

Structure parameters

• Chemical name: Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6- diisopropylphenylamido-κ<i>N</i>)zirconium(IV)
• Formula: C36 H67 N5 Zr
• Calculated formula: C36 H67 N5 Zr
• SMILES: [Zr](Nc1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)([NH](CC)CC)(N(CC)CC)N(CC)CC
• Title of publication: Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6-diisopropylphenylamido-κ<i>N</i>)zirconium(IV)
• Authors of publication: Zauliczny, Mateusz; Grubba, Rafał; Ponikiewski, Łukasz; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m72
• a: 11.2079 ± 0.0003 Å
• b: 13.1612 ± 0.0005 Å
• c: 14.3443 ± 0.0006 Å
• α: 86.578 ± 0.003°
• β: 70.484 ± 0.003°
• γ: 71.232 ± 0.003°
• Cell volume: 1885.6 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes