Information card for entry 7717526

Structure parameters

• Formula: C47 H56 Cu N2 P
• Calculated formula: C47 H56 Cu N2 P
• Title of publication: Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.
• Authors of publication: Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 23.339 ± 0.003 Å
• b: 15.8665 ± 0.0019 Å
• c: 24.171 ± 0.003 Å
• α: 90°
• β: 111.832 ± 0.002°
• γ: 90°
• Cell volume: 8308.8 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No