Information card for entry 2005819

Structure parameters

• Chemical name: Lithium Bis(1,6-anhydro-β-D-glucosidato(2-)-O^2^,O^4^)cuprate(II) Octahydrate
• Formula: C12 H32 Cu Li2 O18
• Calculated formula: C12 H32 Cu Li2 O18
• SMILES: [Cu]123[O]4[C@H]5[C@@H]6OC[C@@H](O6)[C@@H]([O]1[Li]([O]3[C@H]1[C@H](O)[C@@H]([O]2[Li]4([OH2])[OH2])[C@@H]2OC[C@H]1O2)([OH2])[OH2])[C@@H]5O.O.O.O.O
• Title of publication: A Homoleptic Cuprate(II) Complex with Deprotonated 1,6-Anhydro-β-<small>D</small>-glucose (Levoglucosan) Ligands
• Authors of publication: Gack, C.; Klüfers, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2972 - 2975
• a: 7.732 ± 0.004 Å
• b: 8.879 ± 0.006 Å
• c: 9.772 ± 0.008 Å
• α: 66.92 ± 0.06°
• β: 85.13 ± 0.06°
• γ: 64.39 ± 0.04°
• Cell volume: 553.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.0871
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No