Information card for entry 4509747

Structure parameters

• Formula: C15 H15 Cu2 I2 N3 S3
• Calculated formula: C15 H15 Cu2 I2 N3 S3
• Title of publication: Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains
• Authors of publication: Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4963
• a: 30.764 ± 0.006 Å
• b: 16.095 ± 0.003 Å
• c: 10.559 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5228.3 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.3097
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No