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Information card for entry 2234567
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| Coordinates | 2234567.cif |
|---|---|
| Structure factors | 2234567.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II) |
|---|---|
| Formula | C6 H13 Cl3 Co N2 |
| Calculated formula | C6 H13 Cl3 Co N2 |
| SMILES | [Co](Cl)(Cl)(Cl)[N]12CC[NH+](CC2)CC1 |
| Title of publication | (4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II) |
| Authors of publication | Zhou, Qinqin; Zhu, Bo-Han |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m675 |
| a | 6.6873 ± 0.0013 Å |
| b | 12.433 ± 0.003 Å |
| c | 6.9298 ± 0.0014 Å |
| α | 90° |
| β | 116.96 ± 0.03° |
| γ | 90° |
| Cell volume | 513.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181267 (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 2/23/45. |
2234567.cif 2234567.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. |
2234567.cif 2234567.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234567.cif 2234567.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. | 2234567.cif 2234567.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234567.cif 2234567.hkl |
| 60038 | 2012-06-14 | cif/ Adding structures of 2234567 via cif-deposit CGI script. |
2234567.cif |
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Users of the data should acknowledge the original authors of the
structural data.