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Information card for entry 4326464
Preview
Coordinates | 4326464.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H39 N4 O2 Ta |
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Calculated formula | C29 H39 N4 O2 Ta |
SMILES | [Ta]12([N](c3c(N1C(C)C)cc(OC)cc3)(c1c(N2C(C)C)cc(OC)cc1)C)(=Nc1ccc(cc1)C)C |
Title of publication | Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands |
Authors of publication | Alan F. Heyduk; Ryan A. Zarkesh; Andy I. Nguyen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9849 - 9863 |
a | 14.9724 ± 0.0013 Å |
b | 9.6086 ± 0.0009 Å |
c | 19.6981 ± 0.0017 Å |
α | 90° |
β | 102.83 ± 0.0009° |
γ | 90° |
Cell volume | 2763.1 ± 0.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0195 |
Residual factor for significantly intense reflections | 0.0172 |
Weighted residual factors for significantly intense reflections | 0.0432 |
Weighted residual factors for all reflections included in the refinement | 0.0447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4326464.html
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Users of the data should acknowledge the original authors of the
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