Information card for entry 7045864

Structure parameters

• Formula: C16 H31 Cu2 I2 N S2
• Calculated formula: C16 H31 Cu2 I2 N S2
• Title of publication: A thermoelectric copper-iodide composite from the pyrolysis of a well-defined coordination polymer.
• Authors of publication: Bai, Shi-Qiang; Wong, Ivy Hoi Ka; Lin, Ming; Young, David James; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 16
• Pages of publication: 5564 - 5569
• a: 16.6274 ± 0.0014 Å
• b: 10.6924 ± 0.0009 Å
• c: 13.1711 ± 0.0011 Å
• α: 90°
• β: 110.243 ± 0.002°
• γ: 90°
• Cell volume: 2197 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No