Information card for entry 2236127

Structure parameters

• Chemical name: Poly[(μ-1,3-thiocyanato-κ<i>N</i>,<i>S</i>)(isonicotinato- κ<i>N</i>,<i>O</i>)(ethanol-κ<i>O</i>)cadmium(II)]
• Formula: C9 H10 Cd N2 O3 S
• Calculated formula: C9 H10 Cd N2 O3 S
• Title of publication: Poly[(μ-1,3-thiocyanato-κ<i>N</i>,<i>S</i>)(isonicotinato-κ<i>N</i>,<i>O</i>)(ethanol-κ<i>O</i>)cadmium(II)]
• Authors of publication: Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1338
• a: 5.7778 ± 0.0002 Å
• b: 16.1804 ± 0.0006 Å
• c: 13.0855 ± 0.0006 Å
• α: 90°
• β: 94.685 ± 0.003°
• γ: 90°
• Cell volume: 1219.24 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes