Information card for entry 7201849

Structure parameters

• Formula: C17 H16 Cl2 Cu I N2 S3
• Calculated formula: C17 H16 Cl2 Cu I N2 S3
• Title of publication: Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand
• Authors of publication: Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 590
• a: 9.252 ± 0.0015 Å
• b: 16.453 ± 0.003 Å
• c: 14.991 ± 0.003 Å
• α: 90°
• β: 104.904 ± 0.003°
• γ: 90°
• Cell volume: 2205.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No