Information card for entry 7013040

Structure parameters

• Formula: C31 H38 Cu2 N2 O13 S0.5
• Calculated formula: C31 H37 Cu2 N2 O13 S0.5
• SMILES: [Cu]123[N](=Cc4c(O2)cccc4)[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]3[Cu]23Oc4ccccc4C=[N]2[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]13.[Cu]123[N](=Cc4c(O2)cccc4)[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]3[Cu]23([O]=S(C)C)Oc4ccccc4C=[N]2[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]13.O
• Title of publication: Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations
• Authors of publication: Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3126 - 3135
• a: 13.184 ± 0.001 Å
• b: 13.683 ± 0.001 Å
• c: 35.411 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6388 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No