Information card for entry 2240620

Structure parameters

• Chemical name: Poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-\ (hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)\ (thiocyanato-κ<i>N</i>)cadmium]
• Formula: C14 H14 Cd N4 O2 S2
• Calculated formula: C14 H14 Cd N4 O2 S2
• Title of publication: Crystal structure of poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-(hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)(thiocyanato-κ<i>N</i>)cadmium]
• Authors of publication: Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: m129 - m130
• a: 10.9124 ± 0.0003 Å
• b: 20.3261 ± 0.0006 Å
• c: 7.9722 ± 0.0002 Å
• α: 90°
• β: 105.965 ± 0.002°
• γ: 90°
• Cell volume: 1700.08 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes