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Information card for entry 4078087
Preview
| Coordinates | 4078087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Amine |
|---|---|
| Chemical name | Amine |
| Formula | C15 H29 N3 |
| Calculated formula | C15 H29 N3 |
| SMILES | N(=C(\N(C)C)NC1CCCCC1)/C1CCCCC1 |
| Title of publication | Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions |
| Authors of publication | Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 8 |
| Pages of publication | 3443 |
| a | 9.6674 ± 0.0011 Å |
| b | 16.4856 ± 0.0019 Å |
| c | 21.5869 ± 0.0019 Å |
| α | 90° |
| β | 114.389 ± 0.004° |
| γ | 90° |
| Cell volume | 3133.4 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4078087.cif |
| 178669 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/80. |
4078087.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078087.cif |
| 57696 | 2012-05-18 | cif/ Adding structures of 4078085, 4078086, 4078087 via cif-deposit CGI script. |
4078087.cif |
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Users of the data should acknowledge the original authors of the
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