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Information card for entry 7104858
Preview
Coordinates | 7104858.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H71 Cl N7 O3 Ta |
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Calculated formula | C36 H71 Cl N7 O3 Ta |
SMILES | [Ta]123(Cl)(N(C(C)C)C(=[N]1CCN2C(=[N]3C(C)C)NC(C)C)NC(C)C)(=Nc1c(cccc1C)C)[O]1CCCC1.O(CC)CC.O(CC)CC |
Title of publication | Catalytic C=N bond metathesis of carbodiimides by group 4 and 5 imido complexes supported by guanidinate ligands |
Authors of publication | Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 20 |
Pages of publication | 2612 - 2613 |
a | 9.002 ± 0.003 Å |
b | 22.236 ± 0.005 Å |
c | 21.629 ± 0.009 Å |
α | 90° |
β | 95.98 ± 0.03° |
γ | 90° |
Cell volume | 4306 ± 2 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1241 |
Residual factor for significantly intense reflections | 0.0993 |
Weighted residual factors for significantly intense reflections | 0.2398 |
Weighted residual factors for all reflections included in the refinement | 0.2689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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