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Information card for entry 4312114
Preview
| Coordinates | 4312114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [PdCl2(hppH)2] monoclinic |
|---|---|
| Formula | C14 H26 Cl2 N6 Pd |
| Calculated formula | C14 H26 Cl2 N6 Pd |
| SMILES | [Pd](Cl)(Cl)([N]1=C2NCCCN2CCC1)[N]1=C2NCCCN2CCC1 |
| Title of publication | Multiple Coordination Geometries Supported by Methylene-Linked Guanidines |
| Authors of publication | Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7564 - 7566 |
| a | 7.9773 ± 0.0002 Å |
| b | 8.8734 ± 0.0003 Å |
| c | 12.3324 ± 0.0003 Å |
| α | 90° |
| β | 99.899 ± 0.002° |
| γ | 90° |
| Cell volume | 859.96 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0237 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312114.cif |
| 171653 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 1, 2, 4. |
4312114.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312114.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312114.cif |
| 3619 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312114 via cif-deposit CGI script. |
4312114.cif |
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Users of the data should acknowledge the original authors of the
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