Information card for entry 7045315

Structure parameters

• Formula: C64 H94 Al2 I2 Li2 N6 O6 Yb
• Calculated formula: C64 H94 Al2 I2 Li2 N6 O6 Yb
• SMILES: C(C)[Al]12c3[n](c(ccc3)C)[Yb]34([n]5c1cccc5C)([n]1c2cccc1C)[n]1c([Al](CC)(c2[n]4c(ccc2)C)c2[n]3c(ccc2)C)cccc1C.I[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.I[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.
• Authors of publication: García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2232 - 2239
• a: 9.6229 ± 0.0003 Å
• b: 10.7281 ± 0.0004 Å
• c: 17.8161 ± 0.0006 Å
• α: 97.034 ± 0.002°
• β: 105.055 ± 0.002°
• γ: 97.684 ± 0.002°
• Cell volume: 1736.27 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No