Information card for entry 7717525

Structure parameters

• Formula: C44 H51 Cu N2 O3.5 P
• Calculated formula: C44 H51 Cu N2 O3.5 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: 9.7777 ± 0.0016 Å
• b: 42.541 ± 0.007 Å
• c: 10.8917 ± 0.0018 Å
• α: 90°
• β: 113.821 ± 0.002°
• γ: 90°
• Cell volume: 4144.5 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1363
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No