Information card for entry 7037452

Structure parameters

• Common name: bis-(NPNtBu)yttrium-CH2TMS
• Chemical name: bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)((trimethylsilyl)methyl)yttrium
• Formula: C44 H67 N4 P2 Si Y
• Calculated formula: C44 H67 N4 P2 Si Y
• SMILES: C(C)(C)(C)N1P(c2ccccc2)(c2ccccc2)=[N](C(C)(C)C)[Y]21(C[Si](C)(C)C)[N](C(C)(C)C)=P(c1ccccc1)(c1ccccc1)N2C(C)(C)C
• Title of publication: Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.
• Authors of publication: Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1525 - 1538
• a: 18.4804 ± 0.0006 Å
• b: 10.7054 ± 0.0003 Å
• c: 22.8125 ± 0.0008 Å
• α: 90°
• β: 92.651 ± 0.003°
• γ: 90°
• Cell volume: 4508.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No