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Information card for entry 2228114
Preview
| Coordinates | 2228114.cif |
|---|---|
| Structure factors | 2228114.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tri-μ-sulfato-κ^6^<i>O</i>:<i>O</i>'-bis[aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')indium(III)] dihydrate |
|---|---|
| Formula | C24 H24 In2 N4 O16 S3 |
| Calculated formula | C24 H24 In2 N4 O16 S3 |
| SMILES | [In]123(OS(=O)(=O)O[In]4(OS(=O)(=O)O1)(OS(=O)(=O)O2)([OH2])[n]1cccc2c1c1[n]4cccc1cc2)([OH2])[n]1cccc2c1c1[n]3cccc1cc2.O.O |
| Title of publication | Tri-μ-sulfato-κ^6^<i>O</i>:<i>O</i>'-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')indium(III)] dihydrate |
| Authors of publication | Shen, Fwu Ming; Lush, Shie Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1260 - m1261 |
| a | 10.5909 ± 0.0002 Å |
| b | 12.0354 ± 0.0002 Å |
| c | 13.3593 ± 0.0003 Å |
| α | 79.904 ± 0.001° |
| β | 79.606 ± 0.001° |
| γ | 64.727 ± 0.001° |
| Cell volume | 1505.32 ± 0.05 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.2169 |
| Weighted residual factors for all reflections included in the refinement | 0.2243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181202 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/81. |
2228114.cif 2228114.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228114.cif 2228114.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228114.cif 2228114.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. | 2228114.cif 2228114.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228114.cif 2228114.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228114.cif 2228114.hkl |
| 5151 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228114 via cif-deposit CGI script. |
2228114.cif |
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Users of the data should acknowledge the original authors of the
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