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Information card for entry 4089681
Preview
Coordinates | 4089681.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H55 Cl N2 P Ta |
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Calculated formula | C50 H55 Cl N2 P Ta |
SMILES | c1(ccccc1)[P]12c3cc(ccc3N(c3c(cc(cc3C)C)C)[Ta]32([C](#[C]3CC)CC)(N(c2c(cc(cc2C)C)C)c2ccc(cc12)C)Cl)C.c1ccccc1 |
Title of publication | Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands |
Authors of publication | Parker, Kyle D. J.; Fryzuk, Michael D. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6122 |
a | 12.2733 ± 0.0005 Å |
b | 13.1929 ± 0.0005 Å |
c | 18.2941 ± 0.0008 Å |
α | 85.154 ± 0.002° |
β | 75.726 ± 0.002° |
γ | 62.928 ± 0.002° |
Cell volume | 2554.89 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 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 | 0.024 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4089681.html
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