Information card for entry 7218104

Structure parameters

• Formula: C38 H34 Cu N8 O8
• Calculated formula: C38 H34 Cu N8 O8
• SMILES: c1[nH]cc[n]1[Cu]([n]1c[nH]cc1)([n]1cc[nH]c1)([n]1c[nH]cc1)(OC(c1cccc2c1c(ccc2)C(=O)OC)=O)OC(=O)c1cccc2c1c(ccc2)C(=O)OC
• Title of publication: Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives
• Authors of publication: Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 8.5178 ± 0.0013 Å
• b: 26.117 ± 0.004 Å
• c: 9.9434 ± 0.0016 Å
• α: 90°
• β: 125.233 ± 0.01°
• γ: 90°
• Cell volume: 1806.8 ± 0.5 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: 0.1885
• Residual factor for significantly intense reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.3678
• Weighted residual factors for all reflections included in the refinement: 0.3781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No