Information card for entry 7214253

Structure parameters

• Formula: C15 H9 Cd Cl N2 O4
• Calculated formula: C15 H9 Cd Cl N2 O4
• Title of publication: Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes
• Authors of publication: Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 3128
• a: 15.146 ± 0.003 Å
• b: 13.695 ± 0.003 Å
• c: 6.9265 ± 0.0014 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 1436.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No