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Information card for entry 2231654
Preview
| Coordinates | 2231654.cif |
|---|---|
| Structure factors | 2231654.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III) |
|---|---|
| Formula | C60 H42 Bi3 Co2 I13 N10 O |
| Calculated formula | C60 H40 Bi3 Co2 I13 N10 O |
| SMILES | [Bi]12(I)(I)(I)[I][Bi]34([I]1)([I]2)[I][Bi]([I]3)([I]4)(I)(I)I.I[Co]12([OH2])([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.[Co]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2 |
| Title of publication | A double salt of iodobismuthate: <i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III) |
| Authors of publication | Chen, Jiongke; Chai, Wenxiang; Song, Li; Yang, Yunyun; Niu, Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1284 - m1285 |
| a | 35.188 ± 0.008 Å |
| b | 17.641 ± 0.004 Å |
| c | 12.793 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7941 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231654.cif 2231654.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. |
2231654.cif 2231654.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231654.cif 2231654.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. | 2231654.cif 2231654.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231654.cif 2231654.hkl |
| 27784 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231654 via cif-deposit CGI script. |
2231654.cif |
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Users of the data should acknowledge the original authors of the
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