Information card for entry 7715265

Structure parameters

• Formula: C105 H96 Cu4 F6 N3 P5
• Calculated formula: C105 H96 Cu4 F6 N3 P5
• Title of publication: Pargyline-phosphine copper(I) clusters with tunable emission for light-emitting devices.
• Authors of publication: Huang, Qiu-Qin; Lin, Yan-Yan; Wang, Yu-Ling; Qi, Jia Yuan; Fu, FengFu; Wei, Qiao-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5844 - 5850
• a: 14.6739 ± 0.001 Å
• b: 21.6181 ± 0.0012 Å
• c: 29.0977 ± 0.0016 Å
• α: 90°
• β: 91.273 ± 0.002°
• γ: 90°
• Cell volume: 9228.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No