Information card for entry 2229765

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N'</i>)copper(II)]- di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Formula: C14 H8 Cu N4 S2
• Calculated formula: C14 H8 Cu N4 S2
• SMILES: c1ccc2c3[n]1[Cu]([n]1cccc(cc2)c31)(N=C=S)N=C=S
• Title of publication: A second polymorph of <i>catena</i>-poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Zhang, Shi-Shen; Chen, Li-Jiang; Han, Yi-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m398
• a: 14.0353 ± 0.0013 Å
• b: 10.3081 ± 0.0009 Å
• c: 10.267 ± 0.0009 Å
• α: 90°
• β: 111.034 ± 0.002°
• γ: 90°
• Cell volume: 1386.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes