Information card for entry 2201231

Structure parameters

• Chemical name: bis[(1R,2R)-(-)-1,2-bis(trimethylsilylamino)cyclohexane-κ^2^N,N']zirconium
• Formula: C24 H56 N4 Si4 Zr
• Calculated formula: C24 H56 N4 Si4 Zr
• SMILES: [Zr]12(N([Si](C)(C)C)[C@@H]3CCCC[C@H]3N1[Si](C)(C)C)N([Si](C)(C)C)[C@@H]1CCCC[C@H]1N2[Si](C)(C)C
• Title of publication: Bis[(1<i>R</i>,2<i>R</i>)-({-})-1,2-bis(trimethylsilylamino)cyclohexane(2{-})-κ^2^<i>N,N</i>']zirconium(IV)
• Authors of publication: Jian-Feng Li; Lin-Hong Weng; Shu-Ping Huang; Hong-Bo Tong; Dian-Sheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m510 - m512
• a: 10.473 ± 0.005 Å
• b: 10.473 ± 0.005 Å
• c: 28.166 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2675 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes