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Information card for entry 4501214
Preview
| Coordinates | 4501214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H53 Fe4 Na7 O58 Sb6 |
|---|---|
| Calculated formula | C24 H12 Fe4 Na7 O58 Sb6 |
| SMILES | [O]12[Sb]34[O]5[Sb]67[O]8[Fe]9%10%111[O]1[Sb]%12%13[O]%14[Sb]%15%16[O]%11[Fe]%11%178(OC(=O)[C@@H]([C@H](C(=O)O3)O4)O%11)O[C@H]([C@@H]3C(=O)O[Sb]%14([O]9[Fe]48([O]%10[Sb]95OC(=O)[C@@H]([C@@H]5C(=O)O[Fe]%1021(OC(=O)[C@@H]([C@H](C(=O)O%15)O%16)O%10)O5)O9)(OC(=O)[C@@H]([C@H](C(=O)O%12)O%13)O4)OC(=O)[C@@H]([C@H](C(=O)O6)O7)O8)O3)C(=O)O%17.[Na+].O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.[Na+] |
| Title of publication | Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds |
| Authors of publication | Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 4632 |
| a | 16.8704 ± 0.0007 Å |
| b | 21.2935 ± 0.0009 Å |
| c | 9.5632 ± 0.0004 Å |
| α | 90° |
| β | 120.011 ± 0.001° |
| γ | 90° |
| Cell volume | 2974.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179543 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/12. |
4501214.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501214.cif |
| 34815 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501214, 4501215, 4501216 via cif-deposit CGI script. |
4501214.cif |
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Users of the data should acknowledge the original authors of the
structural data.