Information card for entry 7715267

Structure parameters

• Formula: C112.5 H105 Cl Cu6 F12 N8 P6
• Calculated formula: C112.5 H105 Cl Cu6 F12 N8 P6
• 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: 14.5135 ± 0.0001 Å
• b: 14.8028 ± 0.0001 Å
• c: 26.8559 ± 0.0002 Å
• α: 74.658 ± 0.001°
• β: 78.79 ± 0.001°
• γ: 72.025 ± 0.001°
• Cell volume: 5252.41 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.066
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No