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Information card for entry 7029395
Preview
| Coordinates | 7029395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H44 B Cl N7 Ta |
|---|---|
| Calculated formula | C29 H44 B Cl N7 Ta |
| SMILES | [Ta]12(Cl)([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(=NC(C)(C)C)CC(C)(C)c1ccccc1 |
| Title of publication | Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies. |
| Authors of publication | Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 15 |
| Pages of publication | 5747 - 5758 |
| a | 10.7974 ± 0.0007 Å |
| b | 11.698 ± 0.0007 Å |
| c | 13.9965 ± 0.0011 Å |
| α | 83.471 ± 0.005° |
| β | 89.385 ± 0.006° |
| γ | 63.341 ± 0.004° |
| Cell volume | 1568.07 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0461 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.835 |
| 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 |
|---|---|---|---|
| 179999 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93. |
7029395.cif |
| 108290 | 2014-03-30 | cif/ Adding structures of 7029388, 7029389, 7029390, 7029391, 7029392, 7029393, 7029394, 7029395 via cif-deposit CGI script. |
7029395.cif |
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Users of the data should acknowledge the original authors of the
structural data.