Information card for entry 2217784

Structure parameters

• Chemical name: {N,N-Bis[2-(trimethylsilylamino)ethyl]-N'-(trimethylsilyl)ethane-1,2- diaminato(3-)-κ^4^<i>N</i>}methylzirconium(IV)
• Formula: C16 H42 N4 Si3 Zr
• Calculated formula: C16 H42 N4 Si3 Zr
• SMILES: [Zr]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)C
• Title of publication: {<i>N</i>,<i>N</i>-Bis[2-(trimethylsilylamino)ethyl]-<i>N</i>'-(trimethylsilyl)ethane-1,2-diaminato(3‒)-κ^4^<i>N</i>}methylzirconium(IV)
• Authors of publication: MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m477
• a: 15.6018 ± 0.0007 Å
• b: 18.0682 ± 0.0008 Å
• c: 18.3745 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5179.7 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes