Information card for entry 1559132

Structure parameters

• Formula: C93 H110 F12 N4 O28 Rh4 S8
• Calculated formula: C86 H84 F4.5 N4 O13 Rh4 S5.5
• SMILES: [Rh]123456([n]7ccc(cc7)c7csc8c7scc8c7cc[n]([Rh]89%10%11%12(Oc%13c(O8)cc8O[Rh]%14%15%16%17([n]%18ccc(c%19c%20scc(c%21cc[n]([Rh]%22%23%24%25%26(Oc%27cc(O2)c(O1)cc%27O%22)[c]1([c]%26([c]%25([c]%24([c]%231C)C)C)C)C)cc%21)c%20sc%19)cc%18)(Oc8c%13)[c]1([c]%17([c]%16([c]%15([c]%141C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)cc7)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.CO
• Title of publication: A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes
• Authors of publication: Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 71.953 ± 0.014 Å
• b: 17.886 ± 0.005 Å
• c: 37.342 ± 0.008 Å
• α: 90°
• β: 96.315 ± 0.008°
• γ: 90°
• Cell volume: 47766 ± 19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1527
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No