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Information card for entry 4505845
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| Coordinates | 4505845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [N,N-(2-aminoethyl)-methyl-1,3-propanediamine]tricyanocobalt(III) |
|---|---|
| Formula | C9 H17 Co N6 |
| Calculated formula | C9 H17 Co N6 |
| SMILES | [Co]12([NH2]CC[NH]1CCC[NH]2C)(C#N)(C#N)C#N |
| Title of publication | Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures |
| Authors of publication | Chun, Hyungphil; Bernal, Ivan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2001 |
| Journal volume | 1 |
| Journal issue | 2 |
| Pages of publication | 143 |
| a | 6.594 ± 0.002 Å |
| b | 7.217 ± 0.003 Å |
| c | 14.305 ± 0.003 Å |
| α | 77.61 ± 0.02° |
| β | 78.56 ± 0.02° |
| γ | 68.17 ± 0.03° |
| Cell volume | 611.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections | 0.993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179594 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/58. |
4505845.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505845.cif |
| 54200 | 2012-04-24 | cif/ Adding structures of 4505843, 4505844, 4505845, 4505846, 4505847, 4505848, 4505849 via cif-deposit CGI script. |
4505845.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.