Information card for entry 7237698

Structure parameters

• Formula: C55 H46 Br2 Cl2 Cu2 N2 P2
• Calculated formula: C55 H46 Br2 Cl2 Cu2 N2 P2
• 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: 12.3597 ± 0.0008 Å
• b: 13.5264 ± 0.0009 Å
• c: 14.5021 ± 0.0009 Å
• α: 80.78 ± 0.003°
• β: 89.069 ± 0.003°
• γ: 88.363 ± 0.003°
• Cell volume: 2392 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No