Information card for entry 7007274

Structure parameters

• Formula: C52 H62 Li2 O10
• Calculated formula: C52 H62 Li2 O10
• SMILES: [Li]12([O](c3c(cccc3Cc3c(OC)cccc3)Cc3c(OC)cccc3)[Li]3([O]2c2c(cccc2Cc2c(OC)cccc2)Cc2c(OC)cccc2)[O](C)CC[O]3C)[O](C)CC[O]1C
• Title of publication: Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.
• Authors of publication: Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3338 - 3349
• a: 9.6584 ± 0.0013 Å
• b: 10.738 ± 0.002 Å
• c: 12.246 ± 0.002 Å
• α: 97.659 ± 0.009°
• β: 112.495 ± 0.009°
• γ: 94.353 ± 0.013°
• Cell volume: 1151.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2644
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No