Information card for entry 4337766

Structure parameters

• Formula: C48 H60 Cl3 N5 O10
• Calculated formula: C44.1 H50.9 Cl3 N3.7 O8.7
• 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: 10.9478 ± 0.0003 Å
• b: 15.3695 ± 0.0003 Å
• c: 15.1896 ± 0.0004 Å
• α: 90°
• β: 94.351 ± 0.002°
• γ: 90°
• Cell volume: 2548.47 ± 0.11 ų
• Cell temperature: 192 ± 3 K
• Ambient diffraction temperature: 192 ± 3 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No