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Information card for entry 2020704
Preview
| Coordinates | 2020704.cif |
|---|---|
| Structure factors | 2020704.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II) |
|---|---|
| Formula | C38 H47 N5 Pd |
| Calculated formula | C38 H47 N5 Pd |
| Title of publication | Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II) |
| Authors of publication | Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 68 - 71 |
| a | 29.525 ± 0.002 Å |
| b | 4.94 ± 0.0008 Å |
| c | 25.663 ± 0.0011 Å |
| α | 90° |
| β | 117.225 ± 0.001° |
| γ | 90° |
| Cell volume | 3328.4 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1662 |
| Weighted residual factors for all reflections included in the refinement | 0.1828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020704.cif 2020704.hkl |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
2020704.cif 2020704.hkl |
| 193975 | 2017-03-05 | cif/ Updating files of 2020704 Original log message: Adding full bibliography for 2020704.cif. |
2020704.cif 2020704.hkl |
| 190422 | 2017-01-12 | cif/ hkl/ Adding structures of 2020704 via cif-deposit CGI script. |
2020704.cif 2020704.hkl |
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