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Information card for entry 7039358
Preview
| Coordinates | 7039358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H26 N4 |
|---|---|
| Calculated formula | C34 H26 N4 |
| Title of publication | Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes. |
| Authors of publication | Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10585 - 10598 |
| a | 6.1075 ± 0.0012 Å |
| b | 18.77 ± 0.003 Å |
| c | 24.794 ± 0.004 Å |
| α | 108.838 ± 0.006° |
| β | 90.297 ± 0.006° |
| γ | 98.256 ± 0.006° |
| Cell volume | 2658.2 ± 0.8 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.202 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7039358.cif |
| 185335 | 2016-08-07 | cif/ Updating files of 7039356, 7039357, 7039358, 7039359, 7039360, 7039361 Original log message: Adding full bibliography for 7039356--7039361.cif. |
7039358.cif |
| 183196 | 2016-06-01 | cif/ Adding structures of 7039356, 7039357, 7039358, 7039359, 7039360, 7039361 via cif-deposit CGI script. |
7039358.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.