Information card for entry 2228810

Structure parameters

• Chemical name: [2,9-Bis(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>']bis(thiocyanato-κ<i>N</i>)cadmium(II)
• Formula: C24 H20 Cd N8 S2
• Calculated formula: C24 H20 Cd N8 S2
• SMILES: Cc1cc(C)n2c3ccc4c5c6c(cc4)ccc4[n]6[Cd]([n]12)([n]35)([n]1c(cc(C)n41)C)(N=C=S)N=C=S
• Title of publication: [2,9-Bis(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>']bis(thiocyanato-κ<i>N</i>)cadmium(II)
• Authors of publication: Zheng, Lu Yi; Chi, Yan Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m68
• a: 8.135 ± 0.0015 Å
• b: 20.601 ± 0.004 Å
• c: 14.633 ± 0.003 Å
• α: 90°
• β: 99.323 ± 0.003°
• γ: 90°
• Cell volume: 2419.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes