Information card for entry 2227418

Structure parameters

• Chemical name: Poly[diaquatetra-μ-selenocyanato-cadmium(II)dipotassium(I)]
• Formula: C4 H4 Cd K2 N4 O2 Se4
• Calculated formula: C4 H4 Cd K2 N4 O2 Se4
• SMILES: C(#N)[Se][Cd]([Se]C#N)([Se]C#N)[Se]C#N.[K+].O.[K+].O
• Title of publication: Poly[diaquatetra-μ-selenocyanato-cadmium(II)dipotassium(I)]
• Authors of publication: Reinert, Thorben; Boeckmann, Jan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: i70 - i71
• a: 21.574 ± 0.003 Å
• b: 4.4055 ± 0.0004 Å
• c: 17.9316 ± 0.0019 Å
• α: 90°
• β: 112.454 ± 0.013°
• γ: 90°
• Cell volume: 1575.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes