Information card for entry 2207792

Structure parameters

• Chemical name: catena-Poly[(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]- μ-3,3'-dithiodipropionato-κO,O':κO'']
• Formula: C16 H17 Cu N3 O4 S2
• Calculated formula: C16 H17 Cu N3 O4 S2
• SMILES: [Cu]1([n]2ccccc2Nc2cccc[n]12)(OC(=O)CCSSCCC(=O)O[Cu]1[n]2ccccc2Nc2cccc[n]12)OC(=O)CCSSCCC(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-3,3'-dithiodipropionato-κ<i>O</i>,<i>O</i>':κ<i>O</i>'']
• Authors of publication: Bao-Dong Ren; Ya-Juan Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m170 - m171
• a: 24.1289 ± 0.0018 Å
• b: 8.8057 ± 0.0007 Å
• c: 19.9518 ± 0.0015 Å
• α: 90°
• β: 123.509 ± 0.001°
• γ: 90°
• Cell volume: 3534.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes