Information card for entry 7201846

Structure parameters

• Formula: C16 H14 Cu I N2 S3
• Calculated formula: C16 H14 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: 8.3397 ± 0.0007 Å
• b: 10.5367 ± 0.0009 Å
• c: 11.5415 ± 0.001 Å
• α: 71.781 ± 0.002°
• β: 72.749 ± 0.002°
• γ: 78.765 ± 0.002°
• Cell volume: 914.16 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No