Information card for entry 2217532

Structure parameters

• Chemical name: [μ-11,23-Dibromo-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]\ hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-\ κ^4^<i>N</i>^3^,<i>N</i>^7^,<i>O</i>,<i>O</i>';\ κ^4^<i>O</i>,<i>O</i>',<i>N</i>^15^,<i>N</i>^19^]bis[perchloratocopper(II)]
• Formula: C22 H20 Br2 Cl2 Cu2 N4 O10
• Calculated formula: C22 H20 Br2 Cl2 Cu2 N4 O10
• SMILES: Brc1cc2C=[N]3CCC[N]4=Cc5cc(Br)cc6C=[N]7CCC[N]8=Cc(c1)c2[O]1[Cu]34([O](c56)[Cu]781OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: [μ-11,23-Dibromo-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-κ^4^<i>N</i>^3^,<i>N</i>^7^,<i>O</i>,<i>O</i>':κ^4^<i>O</i>,<i>O</i>',<i>N</i>^15^,<i>N</i>^19^]bis[perchloratocopper(II)]
• Authors of publication: Han-Ping Zhang; Jin-Xia Zhu; Hong Zhou; Zhi-quan Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m340 - m340
• a: 15.776 ± 0.0018 Å
• b: 8.6253 ± 0.001 Å
• c: 21.501 ± 0.003 Å
• α: 90°
• β: 110.901 ± 0.002°
• γ: 90°
• Cell volume: 2733.2 ± 0.6 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes