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Information card for entry 7021443
Preview
| Coordinates | 7021443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H36 N6 |
|---|---|
| Calculated formula | C20 H36 N6 |
| SMILES | C(=Nc1ccc(N=C(NC(C)C)NC(C)C)cc1)(NC(C)C)NC(C)C |
| Title of publication | Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines. |
| Authors of publication | Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Suárez, Francisco J; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 23 |
| Pages of publication | 8223 - 8230 |
| a | 9.6476 ± 0.0007 Å |
| b | 16.4666 ± 0.0012 Å |
| c | 8.4418 ± 0.0006 Å |
| α | 90° |
| β | 98.015 ± 0.005° |
| γ | 90° |
| Cell volume | 1327.99 ± 0.17 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1171 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1809 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| 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. |
7021443.cif |
| 179919 | 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 7/02/14. |
7021443.cif |
| 86943 | 2013-07-12 | cif/ Adding structures of 7021442, 7021443 via cif-deposit CGI script. |
7021443.cif |
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Users of the data should acknowledge the original authors of the
structural data.