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Information card for entry 2018035
Preview
| Coordinates | 2018035.cif |
|---|---|
| Structure factors | 2018035.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis[bromidotriphenylarsenium(V)] di-μ-bromido-μ-oxido-bis[tribromidotitanium(IV)] |
|---|---|
| Formula | C36 H30 As2 Br10 O Ti2 |
| Calculated formula | C36 H30 As2 Br10 O Ti2 |
| SMILES | c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)Br.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)Br.[Ti]12([Br][Ti]([Br]1)(Br)(Br)(Br)O2)(Br)(Br)Br |
| Title of publication | Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands |
| Authors of publication | Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m96 - m99 |
| a | 10.4991 ± 0.0002 Å |
| b | 10.7921 ± 0.0003 Å |
| c | 21.5971 ± 0.0006 Å |
| α | 81.21 ± 0.001° |
| β | 83.017 ± 0.002° |
| γ | 67.448 ± 0.001° |
| Cell volume | 2228.12 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (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 2/01/80. |
2018035.cif 2018035.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. |
2018035.cif 2018035.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018035.cif 2018035.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018035.cif 2018035.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018035.cif 2018035.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2018035.cif 2018035.hkl |
| 19113 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2018034, 2018035 via cif-deposit CGI script. |
2018035.cif |
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Users of the data should acknowledge the original authors of the
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