Information card for entry 7218102

Structure parameters

• Formula: C24 H22 Cu N4 O8
• Calculated formula: C24 H22 Cu N4 O8
• SMILES: c1[n](cc[nH]1)[Cu](OC(=O)c1ccccc1C(=O)OC)([n]1c[nH]cc1)OC(=O)c1ccccc1C(=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: 12.553 ± 0.0006 Å
• b: 8.4912 ± 0.0006 Å
• c: 24.4976 ± 0.0013 Å
• α: 90°
• β: 100.436 ± 0.003°
• γ: 90°
• Cell volume: 2568 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No