Information card for entry 7235196

Structure parameters

• Chemical name: (mu-iodo)-bis((3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C76 H76 B Cu2 F24 I N8
• Calculated formula: C76 H76 B Cu2 F24 I N8
• Title of publication: Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes
• Authors of publication: G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 1638 - 1645
• a: 12.58365 ± 0.00019 Å
• b: 17.6541 ± 0.0003 Å
• c: 18.0319 ± 0.0003 Å
• α: 79.3917 ± 0.0014°
• β: 84.4139 ± 0.0013°
• γ: 87.624 ± 0.0013°
• Cell volume: 3917.54 ± 0.11 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No