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Information card for entry 7039075
Preview
Coordinates | 7039075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Fe P |
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Calculated formula | C33 H33 Fe P |
SMILES | [Fe]12345678(P9[C]8(=[CH]6[C]2(=[CH]1C9c1ccccc1)c1ccccc1)c1ccccc1)[c]1([c]3([c]7([c]4([c]51C)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 | 10.68583 ± 0.0001 Å |
b | 12.90255 ± 0.00008 Å |
c | 19.40989 ± 0.00015 Å |
α | 90° |
β | 103.817 ± 0.0008° |
γ | 90° |
Cell volume | 2598.69 ± 0.04 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0314 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039075.html
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