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Information card for entry 1552476
Preview
Coordinates | 1552476.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H96 Au2 F6 N2 O6 P6 S2 |
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Calculated formula | C60 H96 Au2 F6 N2 O6 P6 S2 |
SMILES | C1(CCCCC1)[P]1(C2CCCCC2)P([P](C2CCCCC2)(C2CCCCC2)[Au]2[Au]1[P](P([P]2(C1CCCCC1)C1CCCCC1)c1ncccc1)(C1CCCCC1)C1CCCCC1)c1ncccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Controlled scrambling reactions to polyphosphanes via bond metathesis reactions |
Authors of publication | Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 21.8614 ± 0.0006 Å |
b | 16.4069 ± 0.0004 Å |
c | 26.8718 ± 0.0006 Å |
α | 90° |
β | 115.147 ± 0.003° |
γ | 90° |
Cell volume | 8724.8 ± 0.4 Å3 |
Cell temperature | 100 ± 0.11 K |
Ambient diffraction temperature | 100 ± 0.11 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219502 (current) | 2019-10-25 | cif/ Adding structures of 1552459, 1552460, 1552461, 1552462, 1552463, 1552464, 1552465, 1552466, 1552467, 1552468, 1552469, 1552470, 1552471, 1552472, 1552473, 1552474, 1552475, 1552476 via cif-deposit CGI script. |
1552476.cif |
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Users of the data should acknowledge the original authors of the
structural data.