Information card for entry 7007279

Structure parameters

• Formula: C68 H84 Na4 O12
• Calculated formula: C68 H84 Na4 O12
• SMILES: [Na]123([O]4([Na]56([O]1(c1c(cccc1)Cc1ccccc1)[Na]17([O]6([Na]64([O]31c1c(cccc1)Cc1ccccc1)[O](C)CC[O]6C)c1c(cccc1)Cc1ccccc1)[O](C)CC[O]7C)[O](C)CC[O]5C)c1c(cccc1)Cc1ccccc1)[O](C)CC[O]2C
• 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: 20.28 ± 0.0005 Å
• b: 15.0904 ± 0.0003 Å
• c: 21.4779 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6573 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No