Information card for entry 4350227

Structure parameters

• Formula: C16 H14 Cu I N4 S2
• Calculated formula: C16 H14 Cu I N4 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: 29.755 ± 0.002 Å
• b: 13.4624 ± 0.0009 Å
• c: 8.9729 ± 0.0006 Å
• α: 90°
• β: 99.333 ± 0.002°
• γ: 90°
• Cell volume: 3546.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No