Information card for entry 7119172

Structure parameters

• Formula: C105 H69 Cd3 F9 N15 O24 Re3
• Calculated formula: C105 H69 Cd3 F9 N15 O24 Re3
• SMILES: c1cc2cc3c4cc5cc[n]4[Cd]46([n]13)([N]1=Cc3ccc(cc3)OCc3cc[n]7c(c8cc9COc%10ccc(C=[N]%11Cc%12cccc%13C[N](=Cc%14ccc(cc%14)OC5)[Cd]5%11([n]%12%13)(OC(=O)C(F)(F)F)[n]%11ccc(cc%11c%11[n]5ccc(c%11)COc5ccc(cc5)C=[N]5Cc%11cccc%12C[N](=Cc%13ccc(cc%13)OC2)[Cd]75([n]8cc9)([n]%11%12)OC(=O)C(F)(F)F)COc2ccc(C=[N]6Cc5cccc(C1)[n]45)cc2)cc%10)c3)OC(=O)C(F)(F)F.O=[Re](=O)(=O)[O-].O=[Re](=O)(=O)[O-].O=[Re](=O)(=O)[O-]
• Title of publication: Post-synthetic modifications of cadmium-based knots and links
• Authors of publication: Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7398
• a: 18.6042 ± 0.0006 Å
• b: 18.6042 ± 0.0006 Å
• c: 51.5285 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15445.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No