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Information card for entry 4067955
Preview
Coordinates | 4067955.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H44 Cl N4 Ta |
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Calculated formula | C23 H44 Cl N4 Ta |
SMILES | [Ta]12345(Cl)(=NC(C)(C)C)([N](=C(N1C(C)C)N(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes |
Authors of publication | Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 345 |
a | 8.8396 ± 0.0006 Å |
b | 33.469 ± 0.002 Å |
c | 8.8946 ± 0.0006 Å |
α | 90° |
β | 103.232 ± 0.0009° |
γ | 90° |
Cell volume | 2561.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0289 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0588 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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