Information card for entry 2234060

Structure parameters

• Chemical name: <i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒ 1,4,10,13,16-hexaoxacyclooctadecane (1/1)]
• Formula: C15 H28 Cd N4 O6 S3
• Calculated formula: C15 H28 Cd N4 O6 S3
• SMILES: [Cd]12(SC#N)(SC#N)(N=C=S)SC#[N][Cd](SC#[N]1)SC#[N]2.O1CCOCCOCCOCCOCCOCC1.O1CCOCCOCCOCCOCCOCC1.[NH4+].[NH4+]
• Title of publication: <i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒1,4,10,13,16-hexaoxacyclooctadecane (1/1)]
• Authors of publication: Ramesh, V.; Rajarajan, K.; Kumar, K. Sendil; Subashini, A.; NizamMohideen, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m335 - m336
• a: 14.7568 ± 0.0006 Å
• b: 15.4378 ± 0.0006 Å
• c: 10.6383 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2423.54 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0137
• Residual factor for significantly intense reflections: 0.0133
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No