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Information card for entry 7029395
Preview
Coordinates | 7029395.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H44 B Cl N7 Ta |
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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 |
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