Information card for entry 7041318

Structure parameters

• Formula: C126 H114 Cu3 N12 O24
• Calculated formula: C126 H114 Cu3 N12 O24
• Title of publication: Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.
• Authors of publication: Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 471 - 482
• a: 14.8008 ± 0.0003 Å
• b: 26.444 ± 0.0005 Å
• c: 33.4891 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13107.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No