Information card for entry 2207309

Structure parameters

• Common name: N,N-isopropyl-2,4-pentanediiminato tert-butylcyclopentadienyl ytterbium chloride
• Chemical name: (η^5^-tert-Butylcyclopentadienyl)chloro[N,N-(2,6-diisopropylphenyl)pentane-2,4- diiminato]ytterbium(III)
• Formula: C38 H54 Cl N2 Yb
• Calculated formula: C38 H54 Cl N2 Yb
• SMILES: [Yb]12345(Cl)([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[c]1([cH]4[cH]5[cH]2[cH]13)C(C)(C)C
• Title of publication: (η^5^-<i>tert</i>-Butylcyclopentadienyl)chloro[<i>N</i>,<i>N</i>-(2,6-diisopropylphenyl)pentane-2,4-diiminato]ytterbium(III)
• Authors of publication: Zhang, Yong; Yao, Ying-Ming; Shen, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2251 - m2253
• a: 10.858 ± 0.002 Å
• b: 11.803 ± 0.002 Å
• c: 15.378 ± 0.003 Å
• α: 97.688 ± 0.003°
• β: 104.337 ± 0.004°
• γ: 104.019 ± 0.004°
• Cell volume: 1812.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes