Information card for entry 4317101

Structure parameters

• Formula: C108 H130 F6 O38 Ru8 S2
• Calculated formula: C108 H130 F6 O38 Ru8 S2
• SMILES: c1(C2=[O][Ru]345678([c]9(C(C)C)[cH]3[cH]4[c]5([cH]8[cH]69)C)[O](C)[Ru]34568(O2)([c]2([cH]5[cH]4[c]3([cH]8[cH]62)C)C(C)C)[O]7C)cc2cc(c1)C(=O)O[Ru]134567([O]=C8C(O1)=[O][Ru]19%10%11%12(OC(=O)c%13cc(cc(c%13)C%13=[O][Ru]%14%15%16%17%18%19([c]%20(C(C)C)[cH]%14[cH]%15[c]%16([cH]%17[cH]%18%20)C)[O](C)[Ru]%14%15%16%17%18(O%13)([c]%13([cH]%18[cH]%17[c]%16([cH]%15[cH]%14%13)C)C(C)C)[O]%19C)C(=O)O[Ru]%13%14%15%16%17%18([O]=C%19C(O%13)=[O][Ru]%13%20%21%22%23(OC2=O)(O%19)[c]2(C(C)C)[cH]%13[cH]%20[c]%21([cH]%22[cH]%232)C)[c]2(C(C)C)[cH]%14[cH]%15[c]%16(C)[cH]%17[cH]%182)(O8)[c]2(C(C)C)[cH]1[cH]9[c]%10([cH]%11[cH]%122)C)[c]1(C(C)C)[cH]3[cH]4[c]5(C)[cH]6[cH]71.FC(F)(F)S(=O)(=O)[O-].O.O.O.O.FC(F)(F)S(=O)(=O)[O-].O.O.O.O
• Title of publication: Ruthenium-Oxygen Coordination-Driven Self-Assembly of a RuII8 Incomplete Prism: Synthesis, Structure, and Shape-Selective Molecular Recognition Study
• Authors of publication: Sankarasekaran Shanmugaraju; Arun Kumar Bar; Partha Sarathi Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10235 - 10237
• a: 11.751 ± 0.002 Å
• b: 15.292 ± 0.003 Å
• c: 17.122 ± 0.003 Å
• α: 101.23 ± 0.03°
• β: 90.89 ± 0.03°
• γ: 98.87 ± 0.03°
• Cell volume: 2978.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No