Information card for entry 7002390

Structure parameters

• Formula: C26 H16 Cu2 N2 O13
• Calculated formula: C26 H16 Cu2 N2 O13
• SMILES: [Cu]1234Oc5ccccc5C=[N]4[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4[O]2[Cu]241[N](=Cc1c(O2)cccc1)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1[O]34)CO)CO.O
• Title of publication: Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates
• Authors of publication: Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8432 - 8442
• a: 12.707 ± 0.006 Å
• b: 7.2137 ± 0.0016 Å
• c: 15.247 ± 0.009 Å
• α: 90°
• β: 105.07 ± 0.05°
• γ: 90°
• Cell volume: 1349.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1939
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No