Information card for entry 7013044

Structure parameters

• Formula: C52 H44 Cu2 N4 O12
• Calculated formula: C52 H44 Cu2 N4 O12
• SMILES: [Cu]123([O]([C@@H]4[C@@H](O)[C@@H]5O[C@@H](OC[C@H]5O[C@H]4[N]4=Cc5c6ccccc6ccc5O5)CCC)[Cu]45([O]1[C@H]1[C@@H](O[C@H]4[C@@H](O[C@@H](OC4)CCC)[C@@H]1O)[N]3=Cc1c3c(cccc3)ccc1O2)[n]1ccccc1)[n]1ccccc1
• 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: 11.143 ± 0.009 Å
• b: 17.542 ± 0.002 Å
• c: 13.495 ± 0.006 Å
• α: 90°
• β: 100.318 ± 0.015°
• γ: 90°
• Cell volume: 2595 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No