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Information card for entry 2232334
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| Coordinates | 2232334.cif |
|---|---|
| Structure factors | 2232334.hkl |
| Original IUCr paper | HTML |
| Common name | Trirubidium‒tris-18-crown-6-heptaantimonide‒ammonia (1/4) |
|---|---|
| Chemical name | Tris[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium] heptaantimonide‒ ammonia (1/4) |
| Formula | C36 H84 N4 O18 Rb3 Sb7 |
| Calculated formula | C36 H84 N4 O18 Rb3 Sb7 |
| SMILES | [Sb]1[Sb]2[Sb][Sb]3[Sb]([Sb]2)[Sb]13.[Rb]12345[O]6CC[O]5CC[O]3CC[O]4CC[O]2CC[O]1CC6.[Rb]12345[O]6CC[O]3CC[O]5CC[O]2CC[O]1CC[O]4CC6.[Rb]12345[O]6CC[O]3CC[O]5CC[O]1CC[O]2CC[O]4CC6.N.N.N.N |
| Title of publication | Tris[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium] heptaantimonide‒ammonia (1/4) |
| Authors of publication | Mutzbauer, Fabian; Korber, Nikolaus |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1551 |
| a | 15 ± 0.003 Å |
| b | 17.484 ± 0.004 Å |
| c | 25.158 ± 0.005 Å |
| α | 90° |
| β | 90.98 ± 0.03° |
| γ | 90° |
| Cell volume | 6597 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/23. |
2232334.cif 2232334.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232334.cif 2232334.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232334.cif 2232334.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232334.cif 2232334.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232334.cif 2232334.hkl |
| 30989 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232334 via cif-deposit CGI script. |
2232334.cif |
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Users of the data should acknowledge the original authors of the
structural data.