Information card for entry 2228069

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]dithiocyanato- κ<i>N</i>,κ<i>S</i>-cadmium(II)
• Formula: C18 H14 Cd N8 S2
• Calculated formula: C18 H14 Cd N8 S2
• SMILES: [Cd]12(SC#N)([n]3ccccc3c3[n]1[nH]cc3)([n]1ccccc1c1[n]2[nH]cc1)N=C=S
• Title of publication: Bis[2-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]dithiocyanato-κ<i>N</i>,κ<i>S</i>-cadmium(II)
• Authors of publication: Cai, Hua; Guo, Ying; Li, Jian-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1205
• a: 14.4612 ± 0.0019 Å
• b: 9.6043 ± 0.0012 Å
• c: 14.9089 ± 0.0019 Å
• α: 90°
• β: 99.29 ± 0.002°
• γ: 90°
• Cell volume: 2043.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0525
• 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