Information card for entry 7237700

Structure parameters

• Formula: C39 H32 B0.5 Cu0.5 N P
• Calculated formula: C39 H32 B0.5 Cu0.5 N P
• 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: 11.749 ± 0.0004 Å
• b: 16.2954 ± 0.0006 Å
• c: 17.8418 ± 0.0006 Å
• α: 66.5173 ± 0.0019°
• β: 87.826 ± 0.002°
• γ: 88.676 ± 0.002°
• Cell volume: 3130.62 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No