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Information card for entry 4065890
Preview
Coordinates | 4065890.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H57 Cl N3 Nb |
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Calculated formula | C40 H57 Cl N3 Nb |
SMILES | [Nb]1(Cl)(=NC(C)(C)C)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1ccc(cc1)C |
Title of publication | Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand. |
Authors of publication | Tomson, Neil C.; Arnold, John; Bergman, Robert G. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 13 |
Pages of publication | 2926 - 2942 |
a | 13.757 ± 0.002 Å |
b | 16.524 ± 0.003 Å |
c | 17.039 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3873.3 ± 1.1 Å3 |
Cell temperature | 122 ± 2 K |
Ambient diffraction temperature | 122 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0617 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1239 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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