Information card for entry 4337768

Structure parameters

• Formula: C203.4 H231.4 Cu8 N18.2 O45.4
• Calculated formula: C203.4 H231.4 Cu8 N18.2 O45.4
• 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: 31.4137 ± 0.0006 Å
• b: 31.4137 ± 0.0006 Å
• c: 10.8904 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10746.9 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No