Information card for entry 7057195

Structure parameters

• Chemical name: 5-LT
• Formula: C56 H46 Cu4 I4 N6 O2
• Calculated formula: C56 H46 Cu4 I4 N6 O2
• Title of publication: Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters
• Authors of publication: Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8426
• a: 8.3723 ± 0.0002 Å
• b: 9.5464 ± 0.0002 Å
• c: 16.9481 ± 0.0004 Å
• α: 98.435 ± 0.001°
• β: 92.294 ± 0.001°
• γ: 98.655 ± 0.001°
• Cell volume: 1322 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No