Information card for entry 2212932

Structure parameters

• Chemical name: Bis[μ-4,4'-methylenebis(3-hydroxy-2-naphthoato- κ^2^O:O')]bis[aqua(ethylenediamine-κ^2^N,N')copper(II)]
• Formula: C50 H48 Cu2 N4 O14
• Calculated formula: C50 H48 Cu2 N4 O14
• SMILES: [NH2]1CC[NH2][Cu]21([OH2])OC(=O)c1cc3ccccc3c(c1O)Cc1c3c(cc(C(=O)O[Cu]4([NH2]CC[NH2]4)(OC(=O)c4cc5ccccc5c(c4O)Cc4c5c(cc(C(=O)O2)c4O)cccc5)[OH2])c1O)cccc3
• Title of publication: Bis[μ-4,4'-methylenebis(3-hydroxy-2-naphthoato-κ^2^<i>O</i>:<i>O</i>')]bis[aqua(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Yin, Wei-Rong; Ye, Jun-Wei; Ye, Ling; Zhang, Ping; Xu, Jia-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1165 - m1167
• a: 12.379 ± 0.003 Å
• b: 21.425 ± 0.004 Å
• c: 8.842 ± 0.0018 Å
• α: 90°
• β: 107.45 ± 0.03°
• γ: 90°
• Cell volume: 2237.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes