Information card for entry 7013046

Structure parameters

• Formula: C44 H52 Cu2 N4 O14
• Calculated formula: C44 H52 Cu2 N4 O14
• SMILES: [Cu]123([n]4ccccc4)[O]([C@@H]4[C@H]([C@@H]5O[C@@H](OC[C@H]5O[C@H]4[N]1=Cc1c(O3)cccc1)CCC)O)[Cu]13([n]4ccccc4)[O]2[C@@H]2[C@H]([C@@H]4O[C@@H](OC[C@H]4O[C@H]2[N]1=Cc1c(O3)cccc1)CCC)O.O.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: 9.74 ± 0.003 Å
• b: 11.316 ± 0.003 Å
• c: 12.034 ± 0.004 Å
• α: 96.248 ± 0.005°
• β: 107.684 ± 0.005°
• γ: 113.876 ± 0.004°
• Cell volume: 1113.9 ± 0.6 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: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No