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Information card for entry 7009544
Preview
| Coordinates | 7009544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H107 O18 Ta5 |
|---|---|
| Calculated formula | C51 H107 O18 Ta5 |
| SMILES | [Ta]1234(O[Ta]56([O]3[Ta]7([O]5[Ta]89([O]2[Ta]1(O4)(OC(C)(C)C)(O8)(OC(C)(C)C)[O]79)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)([O]6C(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.Cc1ccccc1 |
| Title of publication | Polynuclear tantalum oxoalkoxides. Crystal structures of [Ta8O10(OEt)20], [Ta7O9(OPri)17] and [Ta5O7(OBut)11]·C6H5Me |
| Authors of publication | Isaac Abrahams; Donald C. Bradley; Halina Chudzynska; Majid Motevalli; Paul O'Shaughnessy |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2000 |
| Journal issue | 16 |
| Pages of publication | 2685 - 2691 |
| a | 12.421 ± 0.003 Å |
| b | 12.854 ± 0.002 Å |
| c | 22.921 ± 0.004 Å |
| α | 78.78 ± 0.09° |
| β | 79.79 ± 0.02° |
| γ | 80.63 ± 0.03° |
| Cell volume | 3501.4 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1546 |
| Residual factor for significantly intense reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.2345 |
| Weighted residual factors for all reflections included in the refinement | 0.2645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7009544.cif |
| 179799 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/95. |
7009544.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009544.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009544.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009544.cif |
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Users of the data should acknowledge the original authors of the
structural data.