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Information card for entry 1573852
Preview
Coordinates | 1573852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H114 Mg2 N4 P4 |
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Calculated formula | C74 H114 Mg2 N4 P4 |
Title of publication | Tuning the Selectivity of P4 Reduction at Alkaline-Earth Metal Centres |
Authors of publication | Thum, Stefan; Townrow, Oliver; Langer, Jens; Harder, Sjoerd |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 26.1211 ± 0.0005 Å |
b | 21.8425 ± 0.0004 Å |
c | 12.8482 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7330.5 ± 0.3 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0881 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.2342 |
Weighted residual factors for all reflections included in the refinement | 0.2547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297604 (current) | 2025-02-06 | cif/ Adding structures of 1573851, 1573852, 1573853, 1573854, 1573855 via cif-deposit CGI script. |
1573852.cif |
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Users of the data should acknowledge the original authors of the
structural data.