Information card for entry 1563302

Structure parameters

• Formula: C21 H13 Cd N4 O5
• Calculated formula: C21 H13 Cd N4 O5
• Title of publication: A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands
• Authors of publication: Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 2
• Pages of publication: 280 - 288
• a: 8.975 ± 0.0009 Å
• b: 17.6523 ± 0.0017 Å
• c: 12.6855 ± 0.0012 Å
• α: 90°
• β: 99.648 ± 0.001°
• γ: 90°
• Cell volume: 1981.3 ± 0.3 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: 0.0493
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No