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Information card for entry 4089328
Preview
| Coordinates | 4089328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H26 Cl N3 O4 Pd |
|---|---|
| Calculated formula | C15 H26 Cl N3 O4 Pd |
| SMILES | [Pd]12([NH2]C(CC(=[NH]1)C)(C)C)c1ccccc1C[N]2(C)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II) |
| Authors of publication | Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 23 |
| Pages of publication | 4912 |
| a | 8.7427 ± 0.0004 Å |
| b | 20.7105 ± 0.0011 Å |
| c | 10.4411 ± 0.0006 Å |
| α | 90° |
| β | 92.641 ± 0.004° |
| γ | 90° |
| Cell volume | 1888.52 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4089323 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
4089328.cif |
| 243611 | 2019-11-26 | cif/ Adding structures of 4089323, 4089324, 4089325, 4089326, 4089327, 4089328 via cif-deposit CGI script. |
4089328.cif |
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Users of the data should acknowledge the original authors of the
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