Information card for entry 2218963

Structure parameters

• Chemical name: Dichlorido[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)
• Formula: C17 H11 Cd Cl2 N3 O
• Calculated formula: C17 H11 Cd Cl2 N3 O
• SMILES: C12C=CC=CN1c1ccc3c4c5c(cc3)ccc[n]5[Cd](Cl)(Cl)([n]14)[O]=2
• Title of publication: Dichlorido[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)
• Authors of publication: Li, Jin-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m992
• a: 7.5623 ± 0.0013 Å
• b: 14.105 ± 0.003 Å
• c: 15.155 ± 0.003 Å
• α: 90°
• β: 97.728 ± 0.003°
• γ: 90°
• Cell volume: 1601.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes