Information card for entry 7013041

Structure parameters

• Formula: C32 H40 Br2 Cu2 N2 O14
• Calculated formula: C32 H40 Br2 Cu2 N2 O14
• SMILES: [Cu]123[N](=Cc4c(O2)ccc(c4)Br)[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]3[Cu]23Oc4ccc(cc4C=[N]2[C@H]2[C@@H]([C@H]([C@H]4[C@@H](CO[C@@H](C)O4)O2)O)[O]13)Br.CO.CO
• 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: 10.488 ± 0.001 Å
• b: 12.677 ± 0.001 Å
• c: 14.761 ± 0.001 Å
• α: 110.07 ± 0.01°
• β: 102.19 ± 0.01°
• γ: 91.21 ± 0.01°
• Cell volume: 1792.4 ± 0.3 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: 0.0322
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No