Information card for entry 4505045

Structure parameters

• Formula: C18 H22 Cu2 N2 O8
• Calculated formula: C18 H22 Cu2 N2 O8
• Title of publication: Influence of the CO···π Interaction on the Thermal Dehydration Behavior of [Cu2(sgly)2(H2O)]·1H2O†
• Authors of publication: Yang, Xiandong; Wu, Daqing; Ranford, John D.; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 41
• a: 7.348 ± 0.002 Å
• b: 11.388 ± 0.002 Å
• c: 24.295 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2033 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No