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Information card for entry 4067957
Preview
Coordinates | 4067957.cif |
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Original paper (by DOI) | HTML |
Formula | C23.16 H44.47 I0.84 N4 Ta |
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Calculated formula | C23.1571 H44.4713 I0.8429 N4 Ta |
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 | 16.6809 ± 0.0014 Å |
b | 9.2788 ± 0.0008 Å |
c | 17.6464 ± 0.0015 Å |
α | 90° |
β | 91.054 ± 0.001° |
γ | 90° |
Cell volume | 2730.8 ± 0.4 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0217 |
Residual factor for significantly intense reflections | 0.0203 |
Weighted residual factors for significantly intense reflections | 0.0446 |
Weighted residual factors for all reflections included in the refinement | 0.0451 |
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 | Yes |
Has Fobs | No |
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