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Information card for entry 2232497
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| Coordinates | 2232497.cif |
|---|---|
| Structure factors | 2232497.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-Carbamoylethyl-κ^2^<i>C</i>^1^,<i>O</i>)triiodidotin(IV) |
|---|---|
| Formula | C3 H6 I3 N O Sn |
| Calculated formula | C3 H6 I3 N O Sn |
| SMILES | [Sn]1(I)(I)(I)[O]=C(N)CC1 |
| Title of publication | (2-Carbamoylethyl-κ^2^<i>C</i>^1^,<i>O</i>)triiodidotin(IV) |
| Authors of publication | de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1536 - m1537 |
| a | 7.853 ± 0.0001 Å |
| b | 10.6264 ± 0.0001 Å |
| c | 14.125 ± 0.0002 Å |
| α | 98.801 ± 0.001° |
| β | 105.523 ± 0.001° |
| γ | 102.383 ± 0.001° |
| Cell volume | 1081.23 ± 0.02 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (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 2/23/24. |
2232497.cif 2232497.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2232497.cif 2232497.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232497.cif 2232497.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. | 2232497.cif 2232497.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232497.cif 2232497.hkl |
| 31169 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232497 via cif-deposit CGI script. |
2232497.cif |
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Users of the data should acknowledge the original authors of the
structural data.