Information card for entry 2223460

Structure parameters

• Chemical name: Dichlorido[2,2'-(1,10-phenanthrolin-2-ylimino)diethanol]cadmium(II)
• Formula: C16 H17 Cd Cl2 N3 O2
• Calculated formula: C16 H17 Cd Cl2 N3 O2
• SMILES: C(CN1c2ccc3c4c5c(cc3)ccc[n]5[Cd](Cl)(Cl)([n]24)[OH]CC1)O
• Title of publication: Dichlorido[2,2'-(1,10-phenanthrolin-2-ylimino)diethanol]cadmium(II)
• Authors of publication: Zhang, Shi Guo; Xie, Long Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1235
• a: 7.9435 ± 0.0015 Å
• b: 22.548 ± 0.004 Å
• c: 9.5216 ± 0.0018 Å
• α: 90°
• β: 98.808 ± 0.003°
• γ: 90°
• Cell volume: 1685.3 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes