Information card for entry 2224616

Structure parameters

• Chemical name: Bis(3,4-dimethoxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C30 H26 Cu N2 O8
• Calculated formula: C30 H26 Cu N2 O8
• SMILES: C1(=[O][Cu]23([n]4cccc5c4c4[n]2cccc4cc5)(O1)[O]=C(c1cc(c(cc1)OC)OC)O3)c1cc(c(cc1)OC)OC
• Title of publication: Bis(3,4-dimethoxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Liu, Yaru; Sun, Junshan; Niu, Xiaoli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m34
• a: 12.1639 ± 0.001 Å
• b: 11.4296 ± 0.0009 Å
• c: 19.747 ± 0.0016 Å
• α: 90°
• β: 104.027 ± 0.001°
• γ: 90°
• Cell volume: 2663.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes