Information card for entry 7021057

Structure parameters

• Formula: C36 H36 Cu2 F2 N6 O10
• Calculated formula: C36 H32 Cu2 F2 N6 O10
• 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: 37.308 ± 0.008 Å
• b: 8.055 ± 0.0016 Å
• c: 25.933 ± 0.005 Å
• α: 90°
• β: 111.42 ± 0.03°
• γ: 90°
• Cell volume: 7255 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.738 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No