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Information card for entry 7039080
Preview
Coordinates | 7039080.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H35 Fe P |
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Calculated formula | C34 H35 Fe P |
SMILES | [Fe]12345678(C9(P([C]4(=[CH]3[C]2(=[CH]19)c1ccccc1)c1ccccc1)C)c1ccccc1)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
Title of publication | Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes. |
Authors of publication | Hoidn, Christian M.; Wolf, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 21 |
Pages of publication | 8875 - 8884 |
a | 9.89052 ± 0.00005 Å |
b | 16.24733 ± 0.00007 Å |
c | 17.19538 ± 0.00011 Å |
α | 90° |
β | 99.3153 ± 0.0005° |
γ | 90° |
Cell volume | 2726.76 ± 0.03 Å3 |
Cell temperature | 123.01 ± 0.1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 4 |
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 | 0.0302 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7039080.html
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