Information card for entry 7708299

Structure parameters

• Formula: C256 H298 F9 N12 O43 Rh6 S3
• Calculated formula: C201 H168 F9 N12 O33 Rh6 S3
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Rh]123456(Oc7c8c(c9O[Rh]%10%11%12%13(Oc%14c%15c(cccc%15)c(O1)c7c9%14)([n]1cc(CN7C(=O)c9cc(c%14cc%15c(C(=O)N(C%15=O)Cc%15c[n]([Rh]%16%17%18%19%20(Oc%21c%22c%23c(O[Rh]%24%25%26%27(Oc%23c%23ccccc%23c%22O%16)([n]%16cccc(c%16)CN%16C(=O)c%22cc(c%23ccc%28c(C(=O)N(C%28=O)Cc%28c[n]([Rh]%29%30%31%32%33(Oc%34c%35c(O%29)c%29c(c%36O[Rh]%37%38%39%40(Oc(c%35%36)c%35c%34cccc%35)([n]%34cc(ccc%34)CN%34C(=O)c%35cc(c%36cc%41c(cc%36)C(=O)N(C%41=O)Cc%36c[n]2ccc%36)ccc%35C%34=O)[c]2([c]%38([c]%39([c]%37(C)[c]%402C)C)C)C)cccc%29)[c]2([c]%30([c]%31([c]%32([c]%332C)C)C)C)C)ccc%28)c%23)ccc%22C%16=O)[c]2([c]%27([c]%26([c]%24([c]%252C)C)C)C)C)c2ccccc%212)[c]2([c]%20([c]%18([c]%17([c]%192C)C)C)C)C)ccc%15)cc%14)ccc9C7=O)ccc1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)cccc8)[c]1([c]4([c]6([c]3([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Selective construction and stability studies of molecular trefoil knot and Solomon link
• Authors of publication: Dang, Li-Long; Li, Ting-Ting; Cui, Zheng; Dong, Sui; Ma, Lufang; Jin, Guo-Xin
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.554 ± 0.003 Å
• b: 21.628 ± 0.003 Å
• c: 31.264 ± 0.005 Å
• α: 86.26 ± 0.007°
• β: 85.845 ± 0.007°
• γ: 82.804 ± 0.007°
• Cell volume: 11058 ± 3 ų
• Cell temperature: 172.99 K
• Ambient diffraction temperature: 172.99 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: 0.1155
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2846
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No