Information card for entry 4350230

Structure parameters

• Formula: C17 H14 Cu N5 S2
• Calculated formula: C17 H14 Cu N5 S2
• Title of publication: Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.
• Authors of publication: Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4035 - 4046
• a: 12.3143 ± 0.0011 Å
• b: 4.8205 ± 0.0004 Å
• c: 28.265 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No