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Information card for entry 4131323
Preview
Coordinates | 4131323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H58 N4 Nb P3 |
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Calculated formula | C48 H58 N4 Nb P3 |
SMILES | [Nb](N(C(C)C)P(c1ccccc1)c1ccccc1)(N(C(C)C)P(c1ccccc1)c1ccccc1)(N(C(C)C)P(c1ccccc1)c1ccccc1)=NC(C)C |
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 | 11.4934 ± 0.001 Å |
b | 11.9662 ± 0.0011 Å |
c | 18.4394 ± 0.0017 Å |
α | 89.741 ± 0.005° |
β | 86.923 ± 0.004° |
γ | 62.315 ± 0.004° |
Cell volume | 2241.8 ± 0.4 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for all reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9798 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131323.html
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Users of the data should acknowledge the original authors of the
structural data.