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Information card for entry 4109179
Preview
| Coordinates | 4109179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109179.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109179.cif |
| 57934 | 2012-05-23 | cif/ Adding structures of 4109179 via cif-deposit CGI script. |
4109179.cif |
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Users of the data should acknowledge the original authors of the
structural data.