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Information card for entry 4069519
Preview
| Coordinates | 4069519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H76 Br4 O22 Sb4 Si4 |
|---|---|
| Calculated formula | C72 H56 Br4 O22 Sb4 Si4 |
| SMILES | c1(ccc(cc1)Br)[Sb]1234[O]5[Sb]67([O]8[Sb]9([O]1[Sb]58(O[Si](c1ccccc1)(O9)c1ccccc1)(O[Si](c1ccccc1)(O6)c1ccccc1)c1ccc(Br)cc1)(c1ccc(cc1)Br)([O]27)O[Si](O4)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(O3)c1ccccc1)c1ccc(Br)cc1.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Organoantimony(V) Oxido Cubane Cluster [(p-X-C6H4Sb)4(O)4(Ph2SiO2)4] (X = Cl, Br) Stabilized by Diphenyldisiloxides |
| Authors of publication | Prabhu, M. Santhana Raj; Jami, Ananda Kumar; Baskar, Viswanathan |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3953 |
| a | 24.949 ± 0.004 Å |
| b | 15.262 ± 0.003 Å |
| c | 24.924 ± 0.004 Å |
| α | 90° |
| β | 111.458 ± 0.003° |
| γ | 90° |
| Cell volume | 8833 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178584 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069519.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069519.cif |
| 40316 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069518, 4069519 via cif-deposit CGI script. |
4069519.cif |
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