Information card for entry 7209143

Structure parameters

• Formula: C22 H34 Cu2 I2 N2 S2
• Calculated formula: C22 H34 Cu2 I2 N2 S2
• Title of publication: Novel heptanuclear copper(i) iodide cluster with a pinwheel shape
• Authors of publication: Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 451
• a: 14.7762 ± 0.0003 Å
• b: 12.6035 ± 0.0002 Å
• c: 14.8514 ± 0.0003 Å
• α: 90°
• β: 93.044 ± 0.001°
• γ: 90°
• Cell volume: 2761.9 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No