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Information card for entry 4102724
Preview
Coordinates | 4102724.cif |
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Original paper (by DOI) | HTML |
Common name | (Ar[CH2tBu]N)2(eta2-ArNCHtBu)TaOCH2OtBu |
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Formula | C44 H70 N3 O2 Ta |
Calculated formula | C44 H70 N3 O2 Ta |
SMILES | [Ta]1(OCOC(C)(C)C)(N(c2cc(cc(c2)C)C)CC(C)(C)C)(N(C1C(C)(C)C)c1cc(cc(c1)C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C |
Title of publication | Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes |
Authors of publication | Matthew A. Rankin; Christopher C. Cummins |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 10021 - 10023 |
a | 15.3854 ± 0.001 Å |
b | 16.3025 ± 0.0011 Å |
c | 19.3888 ± 0.0013 Å |
α | 105.013 ± 0.001° |
β | 104.938 ± 0.001° |
γ | 100.622 ± 0.001° |
Cell volume | 4371 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0748 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102724.html
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Users of the data should acknowledge the original authors of the
structural data.