Information card for entry 2241986

Structure parameters

• Chemical name: <i>catena</i>-poly[[Bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]
• Formula: C12 H22 Cu I N2 O2 S2
• Calculated formula: C12 H22 Cu I N2 O2 S2
• SMILES: [Cu](I)([S]1CCN(CC1)C(=O)C)([S]1CCN(CC1)C(=O)C)[I][Cu]([S]1CCN(CC1)C(=O)C)[S]1CCN(CC1)C(=O)C
• Title of publication: Crystal structure of <i>catena</i>-poly[[bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]
• Authors of publication: Chiang, Hojae; Kim, Tae Ho; Park, Hyunjin; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 53 - 55
• a: 14.1513 ± 0.0004 Å
• b: 7.6557 ± 0.0002 Å
• c: 16.9423 ± 0.0004 Å
• α: 90°
• β: 113.805 ± 0.001°
• γ: 90°
• Cell volume: 1679.34 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes