Information card for entry 4501221

Structure parameters

• Formula: C11 H7 Cd Cl F2 N2 O2
• Calculated formula: C11 H7 Cd Cl F2 N2 O2
• Title of publication: Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand
• Authors of publication: Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5171
• a: 13.0654 ± 0.0006 Å
• b: 13.0654 ± 0.0006 Å
• c: 12.3392 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1824.16 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No