Information card for entry 4337769

Structure parameters

• Formula: C116 H128 Cu4 N12 O24
• Calculated formula: C116 H128 Cu4 N12 O24
• Title of publication: Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.
• Authors of publication: Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2683 - 2691
• a: 12.86902 ± 0.00013 Å
• b: 18.90939 ± 0.00014 Å
• c: 23.3517 ± 0.0002 Å
• α: 90°
• β: 97.2196 ± 0.0008°
• γ: 90°
• Cell volume: 5637.47 ± 0.09 ų
• Cell temperature: 179.9 K
• Ambient diffraction temperature: 179.9 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No