Information card for entry 7704673

Structure parameters

• Formula: C188 H183 F24 N8 O40 Rh8 S8
• Calculated formula: C188 H183 F24 N8 O40 Rh8 S8
• SMILES: [Rh]123456([O]=C7O[Rh]89%10%11([O]=C7O1)([n]1ccc(c7ccc(C%12=C%13c%14ccc(c%15cc[n]([Rh]%16%17%18%19%20(OC%21=[O][Rh]%22%23%24%25(OC%21=[O]%16)([n]%16ccc(cc%16)c%16ccc(cc%16)C(=C(c%16ccc(cc%16)c%16cc[n]2cc%16)c2ccc(cc2)c2cc[n]([Rh]%16%21%26%27%28([O]=C%29O[Rh]%30%31%32%33([O]=C%29O%16)([n]%16ccc(c%29ccc%12cc%29)cc%16)[c]%12([c]%33([c]%32([c]%31([c]%30%12C)C)C)C)C)[c]%12([c]%21([c]%26([c]%27([c]%28%12C)C)C)C)C)cc2)c2ccc(cc2)c2cc[n]([Rh]%12%16%21%26%27([O]=C%28O[Rh]%29%30%31%32([O]=C%28O%12)([n]%12ccc(c%28ccc%13cc%28)cc%12)[c]%12(C)[c]%29(C)[c]%30([c]%31(C)[c]%32%12C)C)[c]%12([c]%16([c]%21([c]%26(C)[c]%27%12C)C)C)C)cc2)[c]2([c]%22([c]%23([c]%24([c]%252C)C)C)C)C)[c]2([c]%17([c]%18([c]%19(C)[c]%202C)C)C)C)cc%15)cc%14)cc7)cc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.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-])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-])C(F)(F)F
• Title of publication: A new supramolecular catalytic system: the self-assembly of Rh8 cage host anthracene molecules for [4 + 4] cycloaddition induced by UV irradiation.
• Authors of publication: Yu, Wei-Bin; Qiu, Feng-Yi; Sun, Po; Shi, Hua-Tian; Xin, Zhi-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9688 - 9693
• a: 16.3634 ± 0.0013 Å
• b: 22.2895 ± 0.0017 Å
• c: 38.292 ± 0.003 Å
• α: 103.235 ± 0.003°
• β: 91.953 ± 0.003°
• γ: 109.093 ± 0.003°
• Cell volume: 12757 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No