Information card for entry 2016309

Structure parameters

• Chemical name: <i>catena</i>-poly[[(2,2-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di- μ-chlorido-cadmium(II)-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]
• Formula: C11 H8 Cd Cl N3 S
• Calculated formula: C11 H8 Cd Cl N3 S
• SMILES: [Cd]12(SC#[N][Cd]3(SC#[N]2)[n]2c(cccc2)c2[n]3cccc2)([n]2c(cccc2)c2[n]1cccc2)([Cl]1)[Cl][Cd]123(SC#[N][Cd]1(Cl)(Cl)(SC#[N]2)[n]2c(cccc2)c2[n]1cccc2)[n]1c(cccc1)c1[n]3cccc1
• Title of publication: An unusual chain cadmium(II) coordination polymer: <i>catena</i>-poly[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-chlorido-[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Chen, Min; Chen, Xu-Dong; Du, Miao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m570 - m572
• a: 8.0149 ± 0.0007 Å
• b: 9.2527 ± 0.0008 Å
• c: 9.5534 ± 0.0008 Å
• α: 103.031 ± 0.001°
• β: 106.938 ± 0.001°
• γ: 106.303 ± 0.001°
• Cell volume: 612.98 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes