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Information card for entry 4131319
Preview
Coordinates | 4131319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H51 Cl N3 Nb P3 |
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Calculated formula | C45 H51 Cl N3 Nb P3 |
SMILES | [Nb]123(Cl)([P](N1C(C)C)(c1ccccc1)c1ccccc1)([P](N2C(C)C)(c1ccccc1)c1ccccc1)[P](N3C(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond. |
Authors of publication | Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 28 |
Pages of publication | 9627 - 9636 |
a | 11.3312 ± 0.0009 Å |
b | 12.7706 ± 0.001 Å |
c | 15.9521 ± 0.0012 Å |
α | 81.835 ± 0.005° |
β | 79.96 ± 0.005° |
γ | 69.591 ± 0.005° |
Cell volume | 2122.1 ± 0.3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0633 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for all reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9549 |
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/4131319.html
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Users of the data should acknowledge the original authors of the
structural data.