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Information card for entry 7132548
Preview
Coordinates | 7132548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H82 N6 O6 Th |
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Calculated formula | C70 H66 N6 O4 Th |
Title of publication | Cyclopentadienyl capped thorium(IV) porphyrinoid complex. |
Authors of publication | Mangel, Daniel N.; Brewster, James T.; Juarez, Gabriel J.; Lynch, Vincent M.; Sessler, Jonathan L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | 1020 - 1022 |
a | 14.3339 ± 0.0012 Å |
b | 14.7275 ± 0.0009 Å |
c | 17.9016 ± 0.0011 Å |
α | 92.412 ± 0.005° |
β | 90.923 ± 0.006° |
γ | 117.468 ± 0.007° |
Cell volume | 3347.4 ± 0.5 Å3 |
Cell temperature | 99.9 ± 0.6 K |
Ambient diffraction temperature | 99.9 ± 0.6 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1376 |
Residual factor for significantly intense reflections | 0.0994 |
Weighted residual factors for significantly intense reflections | 0.2335 |
Weighted residual factors for all reflections included in the refinement | 0.2638 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7132548.html
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