Information card for entry 4122867

Structure parameters

• Formula: C276 H394 F54 N18 O108 Rh18 S18
• Calculated formula: C268 H306 F42 N18 O90 Rh18 S14
• SMILES: FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O1[Rh]23456([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)[n]2ccc(c3n4c5c7[n]3[Rh]389%10([O]=C7O[Rh]7%11%12%13([n]%14ccc(c%15[n]%16c%17c%18[n]%15[Rh]%15%19%20%21([O]=C%18O[Rh]%18%22%23%24([n]%25ccc(c%26[n]%27c%28c%29C(=[O][Rh]%30%31%32%33([n]%26%29)([c]%26([c]%30([c]%31([c]%32([c]%33%26C)C)C)C)C)[OH2])O[Rh]%26%29%30%31([n]%32ccc(c%33n%34c%35c%36[n]%33[Rh]%33%37%38%39(OC%36=[O][Rh]%36%40%41%42([n]%43ccc(c%44[n]%45c%46c%47[n]%44[Rh]%44%48%49%50([O]=C%47O[Rh]%47%51%52%53([n]%54ccc(c%55[n]%56c(c%57C1=[O][Rh]1%58%59%60([n]%55%57)([c]%55([c]1([c]%58([c]%59([c]%60%55C)C)C)C)C)[OH2])C(=[O]6)O[Rh]16%55%57%56([c]%56([c]%57([c]%55([c]6([c]1%56C)C)C)C)C)[OH2])cc%54)([O]=C%46O[Rh]16%46%54%45([c]%45([c]1([c]6([c]%46([c]%54%45C)C)C)C)C)[OH2])[c]1([c]%47([c]%51([c]%52([c]%531C)C)C)C)C)([c]1([c]%44([c]%48([c]%49([c]%501C)C)C)C)C)[OH]C)cc%43)([c]1([c]%36([c]%40([c]%41([c]%421C)C)C)C)C)OC%35=[O][Rh]16%35%36%34([OH2])[c]%34([c]1([c]6([c]%35([c]%36%34C)C)C)C)C)([OH]C)[c]1([c]%33([c]%37([c]%38([c]%391C)C)C)C)C)cc%32)([O]=C%28O[Rh]16%28%32%27([c]%27([c]%32([c]%28([c]6([c]1%27C)C)C)C)C)[OH2])[c]1([c]%26([c]%29([c]%30([c]%311C)C)C)C)C)cc%25)(OC%17=[O][Rh]16%17%25%16([c]%16([c]1([c]6([c]%17([c]%25%16C)C)C)C)C)[OH2])[c]1([c]%18([c]%22([c]%23([c]%241C)C)C)C)C)([c]1([c]%15([c]%19([c]%20([c]%211C)C)C)C)C)[OH]C)cc%14)([c]1([c]7([c]%11([c]%12([c]%131C)C)C)C)C)OC5=[O][Rh]15674([OH2])[c]4([c]1([c]5([c]6([c]74C)C)C)C)C)([OH]C)[c]1([c]3([c]8([c]9([c]%101C)C)C)C)C)cc2.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.OC.OC.OC.O.CO.CO.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].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.OC.OC.OC.OC.OC.O
• Title of publication: Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.
• Authors of publication: Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15521 - 15524
• a: 15.839 ± 0.004 Å
• b: 25.104 ± 0.005 Å
• c: 25.353 ± 0.005 Å
• α: 70.598 ± 0.003°
• β: 88.362 ± 0.003°
• γ: 89.674 ± 0.003°
• Cell volume: 9504 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2
• Residual factor for significantly intense reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.3392
• Weighted residual factors for all reflections included in the refinement: 0.383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No