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Information card for entry 7029389
Preview
Coordinates | 7029389.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H38 B Cl N7 Nb |
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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 |
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