Information card for entry 7218106

Structure parameters

• Formula: C36 H30 Cu N4 O8
• Calculated formula: C36 H30 Cu N4 O8
• SMILES: c1[n](cc[nH]1)[Cu]([n]1c[nH]cc1)(OC(=O)c1ccccc1c1ccccc1C(=O)OC)OC(=O)c1ccccc1c1ccccc1C(=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: 8.077 ± 0.002 Å
• b: 12.926 ± 0.003 Å
• c: 17.252 ± 0.004 Å
• α: 90°
• β: 114.682 ± 0.01°
• γ: 90°
• Cell volume: 1636.6 ± 0.7 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: 0.0401
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No