Information card for entry 7013043

Structure parameters

• Formula: C40 H42 Br2 Cu2 N4 O12
• Calculated formula: C40 H42 Br2 Cu2 N4 O12
• SMILES: c12ccc(cc1C=[N]1[C@H]3[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O3)O)[O]3[Cu]1(O2)([n]1ccccc1)[O]1[C@H]2[C@H]([N]4=Cc5c(ccc(c5)Br)O[Cu]314[n]1ccccc1)O[C@H]1[C@H]([C@@H]2O)O[C@H](C)OC1)Br
• 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: 13.23 ± 0.001 Å
• b: 13.242 ± 0.001 Å
• c: 13.426 ± 0.001 Å
• α: 104.83 ± 0.01°
• β: 105.4 ± 0.01°
• γ: 104.06 ± 0.01°
• Cell volume: 2066.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No