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Information card for entry 7024398
Preview
| Coordinates | 7024398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H18 N6 |
|---|---|
| Calculated formula | C11 H18 N6 |
| SMILES | N1(C2=NCCN2CC1)CN1C2=NCCN2CC1 |
| Title of publication | Coordination of neutral, methylene bridged bis-guanidyls at palladium. |
| Authors of publication | Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 6 |
| Pages of publication | 1635 - 1642 |
| a | 5.485 ± 0.0002 Å |
| b | 10.3589 ± 0.0005 Å |
| c | 10.7342 ± 0.0005 Å |
| α | 75.157 ± 0.002° |
| β | 83.025 ± 0.003° |
| γ | 84.728 ± 0.003° |
| Cell volume | 584.01 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024398.cif |
| 179948 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43. |
7024398.cif |
| 92471 | 2014-01-12 | cif/ Adding structures of 7024396, 7024397, 7024398, 7024399, 7024400 via cif-deposit CGI script. |
7024398.cif |
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Users of the data should acknowledge the original authors of the
structural data.