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Information card for entry 2019045
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| Coordinates | 2019045.cif |
|---|---|
| Structure factors | 2019045.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>,<i>N</i>'-Bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride |
|---|---|
| Chemical name | 2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-7,10-diaza-3,14-disilahexadecane-7,10-diium dichloride |
| Formula | C18 H46 Cl2 N2 O2 Si2 |
| Calculated formula | C18 H46 Cl2 N2 O2 Si2 |
| SMILES | C(O[Si](C)(C(C)(C)C)C)C[NH2+]CC[NH2+]CCO[Si](C)(C)C(C)(C)C.[Cl-].[Cl-] |
| Title of publication | Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride |
| Authors of publication | Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 787 - 789 |
| a | 6.2088 ± 0.0004 Å |
| b | 6.4128 ± 0.0006 Å |
| c | 18.7953 ± 0.001 Å |
| α | 88.989 ± 0.002° |
| β | 87.64 ± 0.002° |
| γ | 61.736 ± 0.002° |
| Cell volume | 658.57 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019045.cif 2019045.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019045.cif 2019045.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2019045.cif 2019045.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019045.cif 2019045.hkl |
| 87459 | 2013-08-27 | cif/ Adding structures of 2019045 via cif-deposit CGI script. |
2019045.cif |
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Users of the data should acknowledge the original authors of the
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