Information card for entry 2241037

Structure parameters

• Chemical name: Bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Formula: C28 H36 Br8 Cu2 N4 O10
• Calculated formula: C28 H36 Br8 Cu2 N4 O10
• SMILES: c12c(c(c(c(c1C(=O)O[Cu]1([N](CC[N]1(C)C)(C)C)(OC(=O)c1c(c(c(c(c1C(=O)O[Cu]1(OC2=O)([OH2])[N](CC[N]1(C)C)(C)C)Br)Br)Br)Br)[OH2])Br)Br)Br)Br
• Title of publication: Crystal structure of bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Tobón-Trujillo, Luis Manuel; Villanueva-Sánchez, Luis Felipe; Martínez-Otero, Diego; Dorazco-González, Alejandro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m171 - m172
• a: 9.0961 ± 0.0002 Å
• b: 9.2281 ± 0.0002 Å
• c: 24.4026 ± 0.0007 Å
• α: 90°
• β: 95.491 ± 0.0006°
• γ: 90°
• Cell volume: 2038.95 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes