Information card for entry 4308930

Structure parameters

• Formula: C16 H16 Br4 Cu4 N8 S4
• Calculated formula: C16 H16 Br4 Cu4 N8 S4
• 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: 7.4238 ± 0.0008 Å
• b: 7.5749 ± 0.0008 Å
• c: 13.4896 ± 0.0015 Å
• α: 83.579 ± 0.002°
• β: 81.452 ± 0.002°
• γ: 63.055 ± 0.002°
• Cell volume: 667.87 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No