Information card for entry 7238846

Structure parameters

• Formula: C12 H6 Cd Cl2 N2 O4
• Calculated formula: C12 H6 Cd Cl2 N2 O4
• Title of publication: Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect
• Authors of publication: Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9713
• a: 11.1319 ± 0.0006 Å
• b: 9.9512 ± 0.0005 Å
• c: 14.2568 ± 0.0006 Å
• α: 90°
• β: 120.015 ± 0.003°
• γ: 90°
• Cell volume: 1367.51 ± 0.12 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: 0.0233
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No