Information card for entry 2234544

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(3-acetylpyridine-κ<i>N</i>)cadmium]-di-μ- selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]
• Formula: C16 H14 Cd N4 O2 Se2
• Calculated formula: C16 H14 Cd N4 O2 Se2
• SMILES: [Cd]1([n]2cc(ccc2)C(=O)C)([n]2cc(ccc2)C(=O)C)(N=C=[Se])([Se]C#[N])[Se]C#[N][Cd]([Se]C#[N]1)([n]1cccc(c1)C(=O)C)[n]1cc(ccc1)C(=O)C
• Title of publication: <i>catena</i>-Poly[[bis(3-acetylpyridine-κ<i>N</i>)cadmium]-di-μ-selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]
• Authors of publication: Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m704
• a: 5.9447 ± 0.0003 Å
• b: 18.7233 ± 0.001 Å
• c: 8.7548 ± 0.0005 Å
• α: 90°
• β: 94.02 ± 0.004°
• γ: 90°
• Cell volume: 972.05 ± 0.09 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: 0.0351
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes