Information card for entry 2227779

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Formula: C13 H8 Cu N3 S
• Calculated formula: C13 H8 Cu N3 S
• SMILES: [Cu]1(N=C=S)([n]2c3c4[n]1cccc4ccc3ccc2)SC#[N][Cu]1[n]2c3c4[n]1cccc4ccc3ccc2
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Li, Hong; Zhang, Shi Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1216
• a: 7.9744 ± 0.0015 Å
• b: 11.948 ± 0.002 Å
• c: 12.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes