Information card for entry 7127913

Structure parameters

• Formula: C178 H190 F18 N12 O34 Rh6 S6
• Calculated formula: C148 H132 F12 N6 O24 Rh6 S4
• SMILES: [Rh]123456(Oc7c8c(O1)ccc1O[Rh]9%10%11%12(Oc(c81)cc7)([n]1ccc(C#Cc7cc8C#Cc%13cc[n]([Rh]%14%15%16%17%18(Oc%19ccc%20O[Rh]%21%22%23%24(Oc%25c%20c%19c(O%14)cc%25)([n]%14ccc(C#Cc%19cc(C#Cc%20cc[n]2cc%20)cc(c%19)C#Cc2cc[n]([Rh]%19%20%25%26%27(Oc%28c%29c%30c(O[Rh]%31%32%33%34(Oc%30cc%28)([n]%28ccc(C#Cc(c7)c8)cc%28)[c]7([c]%31([c]%32([c]%33([c]%347C)C)C)C)C)ccc%29O%19)[c]7([c]%20([c]%25([c]%26([c]%277C)C)C)C)C)cc2)cc%14)[c]2([c]%21([c]%22([c]%23([c]%242C)C)C)C)C)[c]2([c]%18([c]%17([c]%16([c]%152C)C)C)C)C)cc%13)cc1)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Self-assembly and guest-induced disassembly of triply interlocked [2]catenanes.
• Authors of publication: Zhang, Ying-Ying; Qiu, Feng-Yi; Shi, Hua-Tian; Yu, Weibin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 24
• Pages of publication: 3010 - 3013
• a: 17.6122 ± 0.001 Å
• b: 22.2298 ± 0.0014 Å
• c: 26.3632 ± 0.0014 Å
• α: 70.629 ± 0.004°
• β: 81.477 ± 0.003°
• γ: 72.911 ± 0.004°
• Cell volume: 9292.7 ± 1 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: 0.0951
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No