Information card for entry 2234991

Structure parameters

• Chemical name: Dichloridobis(methanol-κ<i>O</i>)[<i>cis</i>-(±)-2,4,5-tris(pyridin-2-yl)-2- imidazoline-κ^3^<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^4^]ytterbium(III) chloride
• Formula: C20 H23 Cl3 N5 O2 Yb
• Calculated formula: C20 H23 Cl3 N5 O2 Yb
• SMILES: [Yb]12(Cl)(Cl)([N]3=C(N[C@@H]([C@@H]3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2)([OH]C)[OH]C.[Cl-].[Yb]12(Cl)(Cl)([N]3=C(N[C@H]([C@H]3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2)([OH]C)[OH]C.[Cl-]
• Title of publication: Dichloridobis(methanol-κ<i>O</i>)[<i>cis</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^3^<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^4^]ytterbium(III) chloride
• Authors of publication: Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Cruz-Enriquez, Adriana; Campos-Gaxiola, Jose J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m815 - m816
• a: 9.2401 ± 0.0013 Å
• b: 9.839 ± 0.0014 Å
• c: 13.3765 ± 0.0019 Å
• α: 99.978 ± 0.002°
• β: 94.616 ± 0.002°
• γ: 92.145 ± 0.002°
• Cell volume: 1192.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes