Information card for entry 7021061

Structure parameters

• Formula: C28 H35 Cu2 N5 O12
• Calculated formula: C28 H27 Cu2 N5 O12
• Title of publication: From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.
• Authors of publication: Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 6119 - 6130
• a: 17.6777 ± 0.0011 Å
• b: 10.0875 ± 0.0006 Å
• c: 20.9883 ± 0.0013 Å
• α: 90°
• β: 110.719 ± 0.002°
• γ: 90°
• Cell volume: 3500.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No