Information card for entry 7237702

Structure parameters

• Formula: C104 H80 Cu2 F12 N4 P6
• Calculated formula: C104 H80 Cu2 F12 N4 P6
• Title of publication: Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds
• Authors of publication: Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 3772
• a: 24.0469 ± 0.0007 Å
• b: 9.4323 ± 0.0003 Å
• c: 20.6401 ± 0.0006 Å
• α: 90°
• β: 93.49 ± 0.0016°
• γ: 90°
• Cell volume: 4672.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1144
• 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