Information card for entry 7002389

Structure parameters

• Formula: C98 H98 Cu6 N6 O32
• Calculated formula: C98 H98 Cu6 N6 O32
• SMILES: [C@@H]12[C@@H]([C@@H]([C@@H](CO1)O)[O]1[Cu]34(Oc5ccc6c(cccc6)c5C=[N]23)[Cu]231Oc1c(c5c(cc1)cccc5)C=[N]2[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)[O]43)O)O.CO
• 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: 13.893 ± 0.002 Å
• b: 17.144 ± 0.002 Å
• c: 18.831 ± 0.002 Å
• α: 90°
• β: 100.73 ± 0.02°
• γ: 90°
• Cell volume: 4406.8 ± 1 ų
• Cell temperature: 150 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No