Information card for entry 4003129

Structure parameters

• Formula: C49 H42 B Cl2 Cu F4 N2 O2 P2 S
• Calculated formula: C49 H42 B Cl2 Cu F4 N2 O2 P2 S
• Title of publication: Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes
• Authors of publication: Brown, Christopher M.; Carta, Veronica; Wolf, Michael O.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 5786
• a: 12.4822 ± 0.0011 Å
• b: 14.5739 ± 0.0014 Å
• c: 15.8204 ± 0.0014 Å
• α: 74.485 ± 0.002°
• β: 88.104 ± 0.002°
• γ: 72.284 ± 0.002°
• Cell volume: 2637.9 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections: 0.2034
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No