Information card for entry 4109180

Structure parameters

• Formula: C157 H163.5 N6.5 Na9 O82.5 Sb24
• Calculated formula: C157 H139.5 N6.5 Na9 O80.75 Sb24
• SMILES: [Sb]1234([O]5[Sb]67([O]8[Sb]9%10([O]%11[Sb]%12%13([O]%14[Sb]%15%16([O]%17[Sb]%18(O1)(O[Sb]1%17(O%15)(O[Sb](O[Sb]5(O[Sb]8(O[Sb]%11(O%13)(O%10)(O[Sb]%14(O1)([OH2])(c1ccccc1)[OH2])c1ccccc1)([OH2])([OH2])c1ccccc1)(O3)(O7)c1ccccc1)([O]4%18)(c1ccccc1)([OH2])[OH2])c1ccccc1)(O%16)c1ccccc1)(O%12)c1ccccc1)(O9)c1ccccc1)(O6)c1ccccc1)(O2)c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.N#CC.N#CC.[Sb]1234([O]5[Sb]67(O[Sb]89%10([O]%11[Sb]%12%13(O[Sb]%14%15%16([O]%17[Sb]%18(O1)([O]2[Sb]1(O[Sb]5(O3)(O6)(O[Sb](O[Sb]%11(O[Sb]([O]%12%14)([OH2])([OH2])(O[Sb]%17(O%18)(O%15)(O1)c1ccccc1)c1ccccc1)(O9)(O%13)c1ccccc1)([OH2])([OH2])([O]7%10)c1ccccc1)c1ccccc1)(c1ccccc1)([OH2])[OH2])(O%16)c1ccccc1)c1ccccc1)(O8)c1ccccc1)c1ccccc1)(O4)c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.N#CC.N#CC.N#CC.N#CC.N#CC.O.O.O.O.O.O
• Title of publication: Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand
• Authors of publication: Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3042 - 3043
• a: 19.2278 ± 0.0012 Å
• b: 21.1616 ± 0.0014 Å
• c: 29.4465 ± 0.0019 Å
• α: 104.844 ± 0.001°
• β: 100.519 ± 0.001°
• γ: 96.959 ± 0.001°
• Cell volume: 11207.8 ± 1.3 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: 0.0972
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No