Information card for entry 7128914

Structure parameters

• Formula: C138 H172 F12 N14 O41 Rh4 S4
• Calculated formula: C123 H118 F6 N12 O21 Rh4 S2
• SMILES: [Rh]123456(n7c(=O)c8c(c(=O)n9[Rh]%10%11%12%13([n]%14c(c89)cccc%14)([n]8ccc(cc8)C(=O)OCc8ccc9cc(ccc9c8)COC(=O)c8cc[n]([Rh]9%14%15%16%17(n%18c(=O)c%19c(c%18c%18[n]9cccc%18)c(=O)n9[Rh]%18%20%21%22([n]%23c(c%199)cccc%23)([n]9ccc(C(=O)OCc%19ccc%23cc(COC(=O)c%24cc[n]2cc%24)ccc%23c%19)cc9)[c]2([c]%18([c]%20([c]%21([c]%222C)C)C)C)C)[c]2([c]%14([c]%15([c]%16([c]%172C)C)C)C)C)cc8)[c]2([c]%10([c]%11([c]%12([c]%132C)C)C)C)C)c7c2[n]1cccc2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.CO.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: 18.764 ± 0.0013 Å
• b: 20.0235 ± 0.0012 Å
• c: 23.0409 ± 0.0015 Å
• α: 111.167 ± 0.004°
• β: 104.102 ± 0.004°
• γ: 94.488 ± 0.004°
• Cell volume: 7696.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1772
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.3584
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No