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Information card for entry 7102319
Preview
| Coordinates | 7102319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 Cl2 N2 Ru |
|---|---|
| Calculated formula | C16 H22 Cl2 N2 Ru |
| SMILES | [Ru]12345(Cl)(Cl)([n]6ccc(cc6N)C)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C |
| Title of publication | Anion binding in (arene)ruthenium(II)-based hosts |
| Authors of publication | Dickson, Sara Jane; Biagini, Stefano C. G.; Steed, Jonathan W. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 46 |
| Pages of publication | 4955 - 4957 |
| a | 9.2102 ± 0.0003 Å |
| b | 7.9958 ± 0.0003 Å |
| c | 22.4459 ± 0.0008 Å |
| α | 90° |
| β | 98.992 ± 0.002° |
| γ | 90° |
| Cell volume | 1632.67 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210776 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7102319, 7113170. Marking entry 7113170 as a duplicate of entry 7102319. |
7102319.cif |
| 180125 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/23. |
7102319.cif |
| 114041 | 2014-05-21 | cif/7/ (saulius@koala.ibt.lt) Marking '7102319' as a duplicate of the entry 7113170, updating bibliographies. |
7102319.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7102319.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7102319.cif |
| 403 | 2008-06-25 | Comitting the Chem-Comm-2007/ CIF files with extracted structural data. |
7102319.cif |
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