Information card for entry 7133269

Structure parameters

• Formula: C79 H69.5 Cd F12 N8.5 O8 P2
• Calculated formula: C79 H69.5 Cd F12 N8.5 O8 P2
• Title of publication: Stepwise construction of a metallocatenane based on non-labile bis(terpyridine)-Cd^II complexes.
• Authors of publication: Wang, Shih-Yu; Lin, Lin-Ting; Rani, Alisha; Lee, Guan-Sian; Chan, Yi-Tsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 61
• Pages of publication: 7914 - 7917
• a: 12.4369 ± 0.0002 Å
• b: 24.8732 ± 0.0005 Å
• c: 25.4913 ± 0.0005 Å
• α: 90°
• β: 101.228 ± 0.002°
• γ: 90°
• Cell volume: 7734.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1074
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No