Information card for entry 7057196

Structure parameters

• Chemical name: 3-LT
• Formula: C30 H26 Cu4 I4 N6
• Calculated formula: C30 H26 Cu4 I4 N6
• 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: 22.6213 ± 0.0006 Å
• b: 18.2046 ± 0.0005 Å
• c: 9.0203 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3714.67 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No