Information card for entry 7212342

Structure parameters

• Formula: C23 H17 Cu N3 O6
• Calculated formula: C23 H17 Cu N3 O6
• Title of publication: Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures
• Authors of publication: Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2734
• a: 15.369 ± 0.005 Å
• b: 10.394 ± 0.005 Å
• c: 14.085 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.914 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2087.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No