Information card for entry 7037451

Structure parameters

• Common name: bis-(NPNtBu)yttrium-chloride
• Chemical name: bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)yttrium chloride
• Formula: C40 H56 Cl N4 P2 Y
• Calculated formula: C40 H56 Cl N4 P2 Y
• SMILES: [Y]12(Cl)([N](C(C)(C)C)=P(c3ccccc3)(c3ccccc3)N2C(C)(C)C)[N](C(C)(C)C)=P(c2ccccc2)(c2ccccc2)N1C(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: 11.291 ± 0.002 Å
• b: 12.957 ± 0.003 Å
• c: 15.213 ± 0.003 Å
• α: 104.56 ± 0.03°
• β: 103.59 ± 0.03°
• γ: 95.79 ± 0.03°
• Cell volume: 2063.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No