Information card for entry 4313388

Structure parameters

• Formula: C3 H4 Cl2 Cu N2 S
• Calculated formula: C3 H4 Cl2 Cu N2 S
• Title of publication: [Cu(H4C3N2S)Cl2]n, an Unprecedented Diazole-Bridged One-Dimensional Copper Halide: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Jun-Ling Song; Zhen-Chao Dong; Hui-Yi Zeng; Wen-Bo Zhou; Takashi Naka; Qiang Wei; Jiang-Gao Mao; Guo; Jin-Shun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2136 - 2140
• a: 8.1546 ± 0.0005 Å
• b: 11.9203 ± 0.0008 Å
• c: 7.1098 ± 0.0004 Å
• α: 90°
• β: 99.737 ± 0.002°
• γ: 90°
• Cell volume: 681.15 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No