Information card for entry 7002632

Structure parameters

• Formula: C26 H30 Cu4 N6 Na2 O23
• Calculated formula: C26 H30 Cu4 N6 Na2 O23
• SMILES: Cc1cc2c3c(c1)C=[N]1CCO[Cu]41[O]3[Cu]1([N](=C2)CCO1)[O]4[Na]12([OH2])(ON(=[O]1)=O)[OH2][Na]1([OH2])(ON(=[O]1)=O)([OH2]2)[O]1[Cu]23[N](CCO2)=Cc(cc2C)c4c(c2)C=[N]2CCO[Cu]12[O]34.O.O.O.O.O
• Title of publication: Interaction with DNA of a heteronuclear [Na2Cu4] coordination cluster obtained from the assembly of two hydroxo-bridged [CuII2] units by a dimeric sodium nitrate template
• Authors of publication: Mandal, Debashree; Chauhan, Mala; Arjmand, Farukh; Aromí, Guillem; Ray, Debashis
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9183
• a: 28.09 ± 0.03 Å
• b: 9.13 ± 0.02 Å
• c: 18.26 ± 0.03 Å
• α: 90°
• β: 115.98 ± 0.05°
• γ: 90°
• Cell volume: 4210 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No