Information card for entry 7023646

Structure parameters

• Formula: C20 H20 Cl4 Cu2 N8 O4
• Calculated formula: C20 H20 Cl4 Cu2 N8 O4
• SMILES: c1[n](c2c(n1C)ncnc2c1occc1)[Cu]1([OH2])([Cl][Cu]([n]2cn(c3c2c(c2ccco2)ncn3)C)([OH2])([Cl]1)Cl)Cl
• Title of publication: 6-Substituted purines containing thienyl or furyl substituents as artificial nucleobases for metal-mediated base pairing.
• Authors of publication: Sinha, Indranil; Kösters, Jutta; Hepp, Alexander; Müller, Jens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16080 - 16089
• a: 18.5949 ± 0.0013 Å
• b: 10.8315 ± 0.0007 Å
• c: 15.5754 ± 0.001 Å
• α: 90°
• β: 126.104 ± 0.001°
• γ: 90°
• Cell volume: 2534.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No