Information card for entry 7039541

Structure parameters

• Chemical name: (2,9-dimesityl-1,10-phenanthroline)(1,10-phenanthroline)copper(I) hexafluorophosphate
• Formula: C42 H36 Cu F6 N4 P
• Calculated formula: C42 H36 Cu F6 N4 P
• Title of publication: Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.
• Authors of publication: Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J.; Shelby, Megan L.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9871 - 9883
• a: 18.894 ± 0.004 Å
• b: 13.578 ± 0.003 Å
• c: 14.4 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3694.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No