Information card for entry 7218103

Structure parameters

• Formula: C28 H28 Cu2 N8 O10
• Calculated formula: C28 H28 Cu2 N8 O10
• 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: 8.8941 ± 0.0003 Å
• b: 22.4052 ± 0.0008 Å
• c: 16.1449 ± 0.0006 Å
• α: 90°
• β: 105.428 ± 0.002°
• γ: 90°
• Cell volume: 3101.33 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No