Information card for entry 7021056

Structure parameters

• Formula: C15 H27 Cu N3 O8
• Calculated formula: C15 H27 Cu N3 O8
• SMILES: [Cu]12([OH2])(OC(=O)C[N]2(CC(=O)O1)C(C)(C)C)[n]1cccc2c1[nH]cc2.O.O.O
• 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: 34.292 ± 0.018 Å
• b: 9.563 ± 0.005 Å
• c: 11.407 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3741 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No