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Information card for entry 4124767
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Coordinates | 4124767.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bmkxr29 |
---|---|
Formula | C46 H68 N5 Nb |
Calculated formula | C46 H68 N5 Nb |
SMILES | C1(=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Nb](C#[N]c2c(cccc2C)C)(N1c1c(cccc1C(C)C)C(C)C)(=NC(C)(C)C)=NC(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 | 12.2648 ± 0.0005 Å |
b | 20.8147 ± 0.0009 Å |
c | 17.2712 ± 0.0007 Å |
α | 90° |
β | 100.263 ± 0.002° |
γ | 90° |
Cell volume | 4338.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.03 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0623 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4124767.html
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