Information card for entry 7005261

Structure parameters

• Common name: (3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-alpha-D- glucofuranose) CoII (PF6)2
• Chemical name: [3,5,6-tri-O-(2-picolyl)-1,2-isopropylidene-α-D-glucofuranose] CoII (PF6)2
• Formula: C27 H33 Co F12 N3 O7 P2
• Calculated formula: C27 H31 Co F12 N3 O7 P2
• SMILES: [Co]12345[O]([C@@H]6[C@H]7OC(O[C@H]7O[C@@H]6[C@H]([O]1Cc1[n]4cccc1)C[O]2Cc1[n]5cccc1)(C)C)Cc1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Glycoligands and Co(II) glycocomplexes. Investigation of the variation of the sugar-scaffold on the structure and chirality measured by circular dichroism.
• Authors of publication: Cisnetti, Federico; Guillot, Régis; Desmadril, Michel; Pelosi, Giorgio; Policar, Clotilde
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1473 - 1476
• a: 9.132 ± 0.005 Å
• b: 19.071 ± 0.005 Å
• c: 9.973 ± 0.005 Å
• α: 90°
• β: 104.076 ± 0.005°
• γ: 90°
• Cell volume: 1684.7 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No