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Information card for entry 7001416
Preview
| Coordinates | 7001416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (3,12-diselena-18-aza-tricyclo[12.3.1.0^5,10^]octadeca- 1(17),5,7,9,14(18),15-hexaene)trimethylplatinum iodide chloroform solvate |
|---|---|
| Formula | C19 H25 Cl3 I N Pt Se2 |
| Calculated formula | C19 H25 Cl3 I N Pt Se2 |
| SMILES | [Pt]12([Se]3Cc4ccccc4C[Se]1Cc1[n]2c(ccc1)C3)(C)(C)C.[I-].ClC(Cl)Cl |
| Title of publication | Selenoether macrocyclic chemistry‒syntheses and ligand properties of new small-ring Se3- and Se2N-donor macrocycles |
| Authors of publication | Levason, William; Manning, Joanna M.; Reid, Gillian; Tuggey, Matthew; Webster, Michael |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 23 |
| Pages of publication | 4569 - 4577 |
| a | 12.534 ± 0.003 Å |
| b | 22.046 ± 0.006 Å |
| c | 17.858 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4935 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1676 |
| Residual factor for significantly intense reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.1726 |
| Weighted residual factors for all reflections included in the refinement | 0.205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179712 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/14. |
7001416.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001416.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001416.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001416.cif |
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