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Information card for entry 2228211
Preview
| Coordinates | 2228211.cif |
|---|---|
| Structure factors | 2228211.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) |
|---|---|
| Formula | C8 H15 Br4 Cd N3 |
| Calculated formula | C8 H15 Br4 Cd N3 |
| SMILES | [Cd](Br)(Br)([Br-])[Br-].C(#N)C[N+]12CC[NH+](CC1)CC2 |
| Title of publication | 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) |
| Authors of publication | Wei, Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1672 |
| a | 8.61 ± 0.003 Å |
| b | 14.071 ± 0.004 Å |
| c | 12.702 ± 0.004 Å |
| α | 90° |
| β | 94.136 ± 0.004° |
| γ | 90° |
| Cell volume | 1534.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.756 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (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 2/22/82. |
2228211.cif 2228211.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. |
2228211.cif 2228211.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228211.cif 2228211.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. | 2228211.cif 2228211.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228211.cif 2228211.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228211.cif 2228211.hkl |
| 5763 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228202, 2228203, 2228204, 2228205, 2228206, 2228207, 2228208, 2228209, 2228210, 2228211 via cif-deposit CGI script. |
2228211.cif |
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Users of the data should acknowledge the original authors of the
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