Information card for entry 4109179

Structure parameters

• Formula: C151 H204.5 N27.5 Na6 O49 Sb16
• Calculated formula: C100 H86 N2 Na6 O48 Sb16
• SMILES: c1(ccccc1)[Sb]1234[O]5[Sb]67(O1)(c1ccccc1)[O]1[Sb]89(O7)(c7ccccc7)O[Sb]71(O6)(c1ccccc1)[O]1[Sb]6%10(O7)(c7ccccc7)O[Sb]7%11(O6)(c6ccccc6)O[Sb]6%12(O8)(c8ccccc8)O[Sb]8%13(O9)(c9ccccc9)O[Sb]9([O]68)(O%12)(c6ccccc6)[O]7[Sb]67(c8ccccc8)(O%11)O[Sb]8%11(c%12ccccc%12)(O[Sb]%12%14(O2)(c2ccccc2)[O]2[Sb](O8)(c8ccccc8)(O%10)(O%12)O[Sb]512(c1ccccc1)O%14)O[Sb]1([O]6%11)(O7)(c2ccccc2)[O]9[Sb](O1)(c1ccccc1)(O%13)(O3)O4.[Na+].O.O.O.O.[Na+].N#CC.[Na+].O.[Na+].O.O.O.O.O.[Na+].N#CC.O.O.[Na+]
• 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: 31.874 ± 0.007 Å
• b: 17.852 ± 0.004 Å
• c: 28.471 ± 0.006 Å
• α: 90°
• β: 118.117 ± 0.004°
• γ: 90°
• Cell volume: 14289 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1378
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No