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Information card for entry 7128196
Preview
Coordinates | 7128196.cif |
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Original paper (by DOI) | HTML |
Formula | C72 H60 F Ge P3 Pd |
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Calculated formula | C72 H60 F Ge P3 Pd |
SMILES | [Pd]12([Ge](F)(c3ccccc3)(c3ccccc3[P]2(c2ccccc2)c2ccccc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation. |
Authors of publication | Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 41 |
Pages of publication | 5004 - 5007 |
a | 13.3586 ± 0.0012 Å |
b | 14.0431 ± 0.0016 Å |
c | 16.711 ± 0.002 Å |
α | 109.543 ± 0.005° |
β | 96.454 ± 0.002° |
γ | 98.884 ± 0.003° |
Cell volume | 2873.2 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 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 | 0.0614 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.1033 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
265851 (current) | 2021-06-05 | cif/ Updating files of 7128196, 7128197, 7128198, 7128199 Original log message: Adding full bibliography for 7128196--7128199.cif. |
7128196.cif |
264339 | 2021-04-21 | cif/ Adding structures of 7128196, 7128197, 7128198, 7128199 via cif-deposit CGI script. |
7128196.cif |
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Users of the data should acknowledge the original authors of the
structural data.