Information card for entry 2228566

Structure parameters

• Chemical name: Bis(μ-2,2'-{[4-(carboxymethoxy)phenyl]azanediyl}diacetato)bis[(1,10- phenanthroline)copper(II)]
• Formula: C48 H38 Cu2 N6 O14
• Calculated formula: C48 H38 Cu2 N6 O14
• SMILES: C(=O)(COc1ccc(cc1)[N]12CC(=O)[O]3[Cu]41([n]1c5c6[n]4cccc6ccc5ccc1)(OC(=O)C2)[O]1C(=O)C[N]2(c4ccc(cc4)OCC(=O)O)CC(=O)O[Cu]4312[n]1c2c3[n]4cccc3ccc2ccc1)O
• Title of publication: Bis(μ-2,2'-{[4-(carboxymethoxy)phenyl]azanediyl}diacetato)bis[(1,10-phenanthroline)copper(II)]
• Authors of publication: Zhao, Yan; Pan, Tonghen; Chen, Zhitao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1670 - m1671
• a: 8.741 ± 0.0017 Å
• b: 10.886 ± 0.002 Å
• c: 22.239 ± 0.004 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 2115.9 ± 0.7 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: 0.0632
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes