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Information card for entry 7009665
Preview
| Coordinates | 7009665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C13 H32 Cl2 N6 |
|---|---|
| Calculated formula | C13 H32 Cl2 N6 |
| SMILES | [Cl-].[Cl-].[NH+](CCC[NH+]=C(N(C)C)N(C)C)=C(N(C)C)N(C)C |
| Title of publication | 1,3-Bis(N,N,N',N'-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand † |
| Authors of publication | Pohl, Siegfried; Harmjanz, Michael; Schneider, Jörg; Saak, Wolfgang; Henkel, Gerald |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 19 |
| Pages of publication | 3473 |
| a | 30.892 ± 0.019 Å |
| b | 7.897 ± 0.004 Å |
| c | 19.834 ± 0.011 Å |
| α | 90° |
| β | 128.53 ± 0.03° |
| γ | 90° |
| Cell volume | 3785 ± 4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7009665.cif |
| 179800 | 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 7/00/96. |
7009665.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009665.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009665.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009665.cif |
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Users of the data should acknowledge the original authors of the
structural data.