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Information card for entry 1564897
Preview
Coordinates | 1564897.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H40 Br2 Cl4 Fe N2 Ni2 P2 |
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Calculated formula | C46 H40 Br2 Cl4 Fe N2 Ni2 P2 |
Title of publication | Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles |
Authors of publication | Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 12.7154 ± 0.0001 Å |
b | 17.1989 ± 0.0002 Å |
c | 20.6947 ± 0.0002 Å |
α | 90° |
β | 95.54 ± 0.001° |
γ | 90° |
Cell volume | 4504.6 ± 0.08 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0509 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1196 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269887 (current) | 2021-10-12 | cif/ Adding structures of 1564896, 1564897, 1564898, 1564899 via cif-deposit CGI script. |
1564897.cif |
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