Information card for entry 7206841

Structure parameters

• Formula: C12 H11 Cd Cl2 N5 O3
• Calculated formula: C12 H11 Cd Cl2 N5 O3
• Title of publication: A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence
• Authors of publication: Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 7086
• a: 7.3001 ± 0.001 Å
• b: 9.2759 ± 0.0012 Å
• c: 11.6302 ± 0.0015 Å
• α: 83.155 ± 0.001°
• β: 87.769 ± 0.002°
• γ: 88.654 ± 0.002°
• Cell volume: 781.19 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No