Information card for entry 7013045

Structure parameters

• Formula: C38 H44 Cu2 N2 O16
• Calculated formula: C38 H44 Cu2 N2 O16
• SMILES: c1cccc2c1c1C=[N]3[Cu]4([O]5[C@H]6[C@@H](O[C@H]7[C@H]([C@@H]6O)O[C@H](C)OC7)[N]6=Cc7c8ccccc8ccc7O[Cu]56[O]4[C@H]4[C@H]3O[C@H]3[C@H]([C@@H]4O)O[C@H](C)OC3)Oc1cc2.O.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: 4.989 ± 0.005 Å
• b: 22.735 ± 0.005 Å
• c: 16.938 ± 0.005 Å
• α: 90°
• β: 96.59 ± 0.005°
• γ: 90°
• Cell volume: 1908 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No