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Information card for entry 2226305
Preview
| Coordinates | 2226305.cif |
|---|---|
| Structure factors | 2226305.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(4,7-diaza-1-azoniacyclononane- κ^2^<i>N</i>^4^,<i>N</i>^7^)palladium(II) <i>p</i>-toluenesulfonate |
|---|---|
| Formula | C13 H23 Cl2 N3 O3 Pd S |
| Calculated formula | C13 H23 Cl2 N3 O3 Pd S |
| SMILES | [Pd]1(Cl)(Cl)[NH]2CC[NH2+]CC[NH]1CC2.S(=O)(=O)([O-])c1ccc(cc1)C |
| Title of publication | Dichlorido(4,7-diaza-1-azoniacyclononane-κ^2^<i>N</i>^4^,<i>N</i>^7^)palladium(II) <i>p</i>-toluenesulfonate |
| Authors of publication | Anthony, Timothy A.; Arman, Hadi D.; Walmsley, Judith A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | m638 - m639 |
| a | 6.6663 ± 0.0011 Å |
| b | 7.0023 ± 0.0011 Å |
| c | 19.646 ± 0.003 Å |
| α | 92.149 ± 0.003° |
| β | 92.301 ± 0.003° |
| γ | 103.084 ± 0.004° |
| Cell volume | 891.5 ± 0.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181184 (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 2/22/63. |
2226305.cif 2226305.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. |
2226305.cif 2226305.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226305.cif 2226305.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. | 2226305.cif 2226305.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226305.cif 2226305.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226305.cif 2226305.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226305.cif |
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Users of the data should acknowledge the original authors of the
structural data.