Information card for entry 4337767

Structure parameters

• Formula: C95 H103 Cl4 Cu4 N9 O33
• Calculated formula: C95 H103 Cl4 Cu4 N9 O33
• 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: 14.2102 ± 0.0006 Å
• b: 17.3347 ± 0.0009 Å
• c: 21.6372 ± 0.0009 Å
• α: 95.097 ± 0.004°
• β: 102.273 ± 0.004°
• γ: 106.039 ± 0.004°
• Cell volume: 4943.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.3101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No