Information card for entry 7019470

Structure parameters

• Formula: C116 H110 Ce2 Li4 O18
• Calculated formula: C116 H110 Ce2 Li4 O18
• SMILES: [Ce]123([O]([Li]4([O]1c1ccc5ccccc5c1)[O](CC[O]4C)C)c1ccc4ccccc4c1)([O](c1ccc4ccccc4c1)[Ce]14([O]([Li]5([O]1c1ccc6ccccc6c1)[O](CC[O]5C)C)c1ccc5ccccc5c1)([O]3c1ccc3ccccc3c1)[O]([Li]1([O]4c3ccc4ccccc4c3)[O](CC[O]1C)C)c1ccc3ccccc3c1)[O]([Li]1([O]2c2ccc3ccccc3c2)[O](CC[O]1C)C)c1ccc2ccccc2c1
• Title of publication: Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions.
• Authors of publication: Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7870 - 7872
• a: 11.7345 ± 0.0007 Å
• b: 15.183 ± 0.0009 Å
• c: 16.605 ± 0.0009 Å
• α: 82.26 ± 0.003°
• β: 74.755 ± 0.003°
• γ: 87.099 ± 0.003°
• Cell volume: 2828 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0324
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No