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Information card for entry 4124765
Preview
Coordinates | 4124765.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bmkxr36 |
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Formula | C45 H66 N5 Nb O |
Calculated formula | C45 H66 N5 Nb O |
SMILES | [Nb]1([N](c2c(cccc2C(C)C)C(C)C)=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C)(=NC(C)(C)C)(=Nc1ccc(OC)cc1)C#[N]C(C)(C)C |
Title of publication | Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes. |
Authors of publication | Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 1 |
Pages of publication | 52 - 55 |
a | 18.8907 ± 0.001 Å |
b | 11.1261 ± 0.0006 Å |
c | 21.1544 ± 0.0011 Å |
α | 90° |
β | 100.794 ± 0.002° |
γ | 90° |
Cell volume | 4367.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0299 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4124765.html
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Users of the data should acknowledge the original authors of the
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