Information card for entry 4003128

Structure parameters

• Formula: C92 H72 B2 Cu2 F8 N4 O4 P4 S2
• Calculated formula: C92 H72 B2 Cu2 F8 N4 O4 P4 S2
• 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: 10.2401 ± 0.0007 Å
• b: 19.7604 ± 0.0014 Å
• c: 21.4189 ± 0.0015 Å
• α: 101.991 ± 0.0016°
• β: 99.5004 ± 0.0016°
• γ: 99.8941 ± 0.0015°
• Cell volume: 4084.8 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No