Information card for entry 4332865

Structure parameters

• Formula: C6 H18 Cu4 I4 S3
• Calculated formula: C6 H18 Cu4 I4 S3
• Title of publication: Luminescent 2-D Double-layered Polymer, [(CuI)4(CH3SCH3)3]∞, Containing Helical Chains Constructed by Flower-Basket-Shaped Cu4I4Clusters
• Authors of publication: Zhou, Jian; Bian, Guo-Qing; Dai, Jie; Zhang, Yong; Zhu, Qin-Yu; Lu, Wen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8486 - 8488
• a: 12.8907 ± 0.0015 Å
• b: 29.65 ± 0.004 Å
• c: 10.7008 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4089.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No