Information card for entry 4506045

Structure parameters

• Formula: C60 H60 Cu N6 O10
• Calculated formula: C60 H60 Cu N6 O10
• SMILES: C1(=O)c2cccc3cccc(c23)C(=O)N1C[C@H]1CC[C@H](C(=O)O[Cu]([n]2ccccc2)([n]2ccccc2)OC(=O)[C@H]2CC[C@H](CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)CC1.n1ccccc1.O.n1ccccc1.O
• Title of publication: Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties
• Authors of publication: Singh, Devendra; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2109
• a: 15.0683 ± 0.0007 Å
• b: 19.544 ± 0.001 Å
• c: 9.2955 ± 0.0005 Å
• α: 90°
• β: 103.023 ± 0.003°
• γ: 90°
• Cell volume: 2667.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No