Information card for entry 7021062

Structure parameters

• Formula: C10 H17 Cu N5 O7
• Calculated formula: C10 H17 Cu N5 O7
• SMILES: [Cu]12(OC(=O)C[NH]2CC(=O)O1)([n]1c2[nH]ccc2c(nc1)N)[OH2].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: 6.7944 ± 0.0011 Å
• b: 7.8048 ± 0.0012 Å
• c: 14.257 ± 0.002 Å
• α: 90.174 ± 0.008°
• β: 92.347 ± 0.008°
• γ: 110.213 ± 0.007°
• Cell volume: 708.76 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.118
• 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: No
• Has Fobs: No