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Information card for entry 7011440
Preview
| Coordinates | 7011440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 Cl5 Co N6 Zn |
|---|---|
| Calculated formula | C14 H26 Cl5 Co N6 Zn |
| SMILES | [Co]12345[NH](CC[N]3=Cc3[n]4cccc3)CC[NH]2CC[NH]5CC[NH2]1.[Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-] |
| Title of publication | Polydentate ligand construction: intramolecular condensation reactions in the synthesis of imine-containing ligands |
| Authors of publication | Browne, Julian M. W.; Wikaira, Jan; Fitchett, Christopher M.; Hartshorn, Richard M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 2227 |
| a | 8.627 ± 0.002 Å |
| b | 9.318 ± 0.002 Å |
| c | 14.226 ± 0.004 Å |
| α | 82.903 ± 0.003° |
| β | 75.79 ± 0.003° |
| γ | 84.019 ± 0.004° |
| Cell volume | 1096.8 ± 0.5 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011440.cif |
| 179818 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/14. |
7011440.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011440.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011440.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011440.cif |
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