Information card for entry 2219925

Structure parameters

• Chemical name: catena-Poly[[[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN^1^](nitrato- κ^2^O,O')cadmium(II)]-μ-thiocyanato-κ^2^N:S]
• Formula: C12 H9 Cd N7 O3 S
• Calculated formula: C12 H9 Cd N7 O3 S
• SMILES: [Cd]123([n]4cccn4c4cccc([n]14)n1ccc[n]21)(N=C=S)(ON(=O)=[O]3)SC#[N][Cd]123([n]4cccn4c4cccc([n]14)n1ccc[n]21)ON(=O)=[O]3
• Title of publication: <i>catena</i>-Poly[[[2,6-bis(pyrazol-1-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>^1^](nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Yang, Zhong Nian; Sun, Ting Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1386
• a: 8.4161 ± 0.0015 Å
• b: 11.817 ± 0.002 Å
• c: 15.631 ± 0.003 Å
• α: 90°
• β: 99.673 ± 0.002°
• γ: 90°
• Cell volume: 1532.4 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes