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Information card for entry 4065889
Preview
Coordinates | 4065889.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H58 Cl2 N3 Nb |
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Calculated formula | C41 H58 Cl2 N3 Nb |
SMILES | [Nb]1(Cl)(Cl)(=Nc2c(cccc2C(C)C)C(C)C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)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 | 17.84 ± 0.005 Å |
b | 21.065 ± 0.006 Å |
c | 21.778 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8184 ± 4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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