Information card for entry 2226215

Structure parameters

• Chemical name: Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>']cadmium(II)
• Formula: C17 H14 Cd Cl2 N4
• Calculated formula: C17 H14 Cd Cl2 N4
• SMILES: c1(cc(C)n2c3ccc4c5c6c(cc4)ccc[n]6[Cd](Cl)(Cl)([n]12)[n]35)C
• Title of publication: Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>']cadmium(II)
• Authors of publication: Sun, You Min; Wang, Yu Qing; Ren, Hui-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m663
• a: 10.6268 ± 0.0012 Å
• b: 10.7903 ± 0.0012 Å
• c: 15.6828 ± 0.0017 Å
• α: 84.22 ± 0.002°
• β: 80.051 ± 0.002°
• γ: 74.864 ± 0.001°
• Cell volume: 1706.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes