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Information card for entry 7029389
Preview
| Coordinates | 7029389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H38 B Cl N7 Nb |
|---|---|
| Calculated formula | C26 H38 B Cl N7 Nb |
| SMILES | [Nb]12(Cl)([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(=NC(C)(C)C)Cc1ccccc1 |
| 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 | 10.617 ± 0.0013 Å |
| b | 11.2 ± 0.0009 Å |
| c | 14.311 ± 0.0015 Å |
| α | 96.911 ± 0.011° |
| β | 97.518 ± 0.012° |
| γ | 107.041 ± 0.009° |
| Cell volume | 1590.3 ± 0.3 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 | 0.1408 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1816 |
| Weighted residual factors for all reflections included in the refinement | 0.2268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| 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. |
7029389.cif |
| 108290 | 2014-03-30 | cif/ Adding structures of 7029388, 7029389, 7029390, 7029391, 7029392, 7029393, 7029394, 7029395 via cif-deposit CGI script. |
7029389.cif |
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Users of the data should acknowledge the original authors of the
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