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Information card for entry 8102163
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| Coordinates | 8102163.cif |
|---|
| Chemical name | bis(2-(2,6-diisopropyl-phenylamino)-6-(2,4,6-triisopropylphenyl)-pyridinium) hexachloro-titanate(IV) toluene solvate |
|---|---|
| Formula | C71 H98 Cl6 N4 Ti |
| Calculated formula | C71 H98 Cl6 N4 Ti |
| Title of publication | Crystal structure of bis(2-(2,6-diisopropyl-phenylamino)-6-(2,4,6- triisopropylphenyl)-pyridinium) hexachlorotitanate(IV) toluene solvate, (C~32~H~45~N~2~)~2~[TiCl~6~] · C~7~H~8~ |
| Authors of publication | Dietel, Anna M.; Irrgang, Torsten; Glatz, Germund; Karthikeyan, Sangeetha; Kempe, Rhett |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 284 - 286 |
| a | 14.273 ± 0.003 Å |
| b | 14.778 ± 0.003 Å |
| c | 16.97 ± 0.003 Å |
| α | 90° |
| β | 103.21 ± 0.03° |
| γ | 90° |
| Cell volume | 3484.7 ± 1.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0954 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102163.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102163.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102163.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102163.cif |
| 12902 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102163 via cif-deposit CGI script. |
8102163.cif |
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