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Information card for entry 4316506
Preview
| Coordinates | 4316506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H55 Al Cl3 O3 Ti3 |
|---|---|
| Calculated formula | C32 H48 Al Cl3 O3 Ti3 |
| SMILES | C12(C)[Ti]34567([c]8([c]6([c]5([c]4([c]38C)C)C)C)C)[O]([Al](Cl)(Cl)Cl)[Ti]34561([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)O[Ti]13452([c]2([c]5([c]4([c]3([c]12C)C)C)C)C)O7 |
| Title of publication | Incorporation of Boron, Aluminum, and Gallium Derivatives into [{Ti(η5-C5Me5)(μ-O)}3(μ3-CR)] (R = H, Me) |
| Authors of publication | Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 8401 - 8410 |
| a | 11.5647 ± 0.0011 Å |
| b | 18.162 ± 0.006 Å |
| c | 19.207 ± 0.006 Å |
| α | 90° |
| β | 90.898 ± 0.014° |
| γ | 90° |
| Cell volume | 4033.7 ± 1.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0919 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179245 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/65. |
4316506.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316506.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316506.cif |
| 9709 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4316506 via cif-deposit CGI script. |
4316506.cif |
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