Information card for entry 4308931

Structure parameters

• Formula: C16 H16 Cu2 I2 N8 S4
• Calculated formula: C16 H16 Cu2 I2 N8 S4
• SMILES: c1(nccc[nH]1)=[S]1[Cu](I)([S]=c2[nH]cccn2)[S](=c2[nH]cccn2)[Cu]1(I)[S]=c1[nH]cccn1
• Title of publication: Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
• Authors of publication: Dan Li; Wen-Juan Shi; Lei Hou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3907 - 3913
• a: 12.8302 ± 0.001 Å
• b: 38.855 ± 0.003 Å
• c: 9.9562 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4963.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No