Information card for entry 7021072

Structure parameters

• Formula: C24 H32 Cu N6 O7
• Calculated formula: C24 H30 Cu N6 O7
• SMILES: [Cu]12345[N]6(CC[N]71CC[N]2(CC[N]3(CC7)CC6)Cc1cc(ccc1O5)N(=O)=O)Cc1cc(ccc1O4)N(=O)=O.O
• Title of publication: Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.
• Authors of publication: Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 6149 - 6160
• a: 23.2324 ± 0.001 Å
• b: 10.1166 ± 0.0005 Å
• c: 12.6511 ± 0.0006 Å
• α: 90°
• β: 122.37 ± 0.002°
• γ: 90°
• Cell volume: 2511.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No