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Information card for entry 7034799
Preview
| Coordinates | 7034799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H17 Cl N2 |
|---|---|
| Calculated formula | C7 H17 Cl N2 |
| SMILES | [Cl-].[N+]1(CCN(CC1)C)(C)C |
| Title of publication | Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands. |
| Authors of publication | Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 20 |
| Pages of publication | 9569 - 9580 |
| a | 8.3293 ± 0.0006 Å |
| b | 10.3564 ± 0.0007 Å |
| c | 10.3564 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 893.36 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034799.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7034799.cif |
| 138659 | 2015-06-07 | cif/ Updating files of 7034798, 7034799, 7034800, 7034801, 7034802, 7034803, 7034804, 7034805, 7034806 Original log message: Adding full bibliography for 7034798--7034806.cif. |
7034799.cif |
| 135856 | 2015-05-09 | cif/ Adding structures of 7034798, 7034799, 7034800, 7034801, 7034802, 7034803, 7034804, 7034805, 7034806 via cif-deposit CGI script. |
7034799.cif |
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Users of the data should acknowledge the original authors of the
structural data.