Information card for entry 7128912

Structure parameters

• Formula: C258 H300 F24 N24 O64 Rh8 S8
• Calculated formula: C241 H232 F3 N24 O22 Rh8 S
• SMILES: [Rh]123456([n]7c8n([Rh]9%10%11%12([n]%13c8[n]1c1ccccc%131)([n]1ccc(cc1)C(=O)OCc1ccc(cc1)c1ccc(cc1)COC(=O)c1cc[n]([Rh]8%13%14%15%16([n]%17c%18[n]([Rh]%19%20%21%22([n]%23c%18[n]8c8ccccc%238)([n]8ccc(cc8)C(=O)OCc8ccc(cc8)c8ccc(cc8)COC(=O)c8cc[n]([Rh]%18%23%24%25%26([n]%27c%28[n]([Rh]%29%30%31%32([n]%33c%28[n]%18c%18c%33cccc%18)([n]%18ccc(cc%18)C(=O)OCc%18ccc(cc%18)c%18ccc(cc%18)COC(=O)c%18cc[n]([Rh]%28%33%34%35%36([n]%37c%38[n]([Rh]%39%40%41%42([n]%43c%38n%28c%28ccccc%43%28)([n]%28ccc(cc%28)C(=O)OCc%28ccc(cc%28)c%28ccc(cc%28)COC(=O)c%28cc[n]2cc%28)[c]2([c]%39([c]%40([c]%41([c]%422C)C)C)C)C)c2ccccc%372)[c]2([c]%33([c]%34([c]%35([c]%362C)C)C)C)C)cc%18)[c]2([c]%32([c]%31([c]%30([c]%292C)C)C)C)C)c2c%27cccc2)[c]2([c]%26([c]%25([c]%24([c]%232C)C)C)C)C)cc8)[c]2([c]%19([c]%20([c]%21([c]%222C)C)C)C)C)c2ccccc%172)[c]2([c]%13([c]%14([c]%15([c]%162C)C)C)C)C)cc1)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)c1ccccc71)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.O.O.O
• Title of publication: Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.
• Authors of publication: Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 76
• Pages of publication: 9772 - 9775
• a: 71.01 ± 0.004 Å
• b: 16.0851 ± 0.001 Å
• c: 49.267 ± 0.002 Å
• α: 90°
• β: 99.2 ± 0.005°
• γ: 90°
• Cell volume: 55549 ± 5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2942
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No