Information card for entry 4350813

Structure parameters

• Formula: C16 H28 Cu4 I4 N4 O2 S2
• Calculated formula: C16 H28 Cu4 I4 N4 O2 S2
• Title of publication: Reversible photoluminescence switch: A stair-step Cu4I4 coordination polymer based on a dithioether ligand
• Authors of publication: Kim, Tae Ho; Lee, Sangjin; Jeon, Youngeun; Shin, Yong Woon; Kim, Jineun
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2013
• Journal volume: 33
• Pages of publication: 114 - 117
• a: 7.3634 ± 0.0008 Å
• b: 9.1657 ± 0.001 Å
• c: 12.4374 ± 0.0013 Å
• α: 111.33 ± 0.002°
• β: 95.213 ± 0.002°
• γ: 103.641 ± 0.002°
• Cell volume: 745.25 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No