Information card for entry 2233877

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(isoquinoline-κ<i>N</i>)(triphenylphospane- κ<i>P</i>)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Formula: C28 H22 Cu N2 P S
• Calculated formula: C28 H22 Cu N2 P S
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(SC#N)([n]1cc2c(cc1)cccc2)[N]#CS[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc2c(cc1)cccc2
• Title of publication: <i>catena</i>-Poly[[(isoquinoline-κ<i>N</i>)(triphenylphospane-κ<i>P</i>)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Li, Jian-Bao; Zhou, Li-Li; Wu, Man-Hua; Jin, Qiong-Hua; Zhang, Cun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m283 - m284
• a: 12.9573 ± 0.0013 Å
• b: 10.5506 ± 0.0011 Å
• c: 18.9241 ± 0.0018 Å
• α: 90°
• β: 108.961 ± 0.001°
• γ: 90°
• Cell volume: 2446.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes