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Information card for entry 7130479
Preview
Coordinates | 7130479.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H54 Cr N3 O3 |
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Calculated formula | C27 H54 Cr N3 O3 |
Title of publication | TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO) |
Authors of publication | Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N. |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 9.7544 ± 0.0001 Å |
b | 10.2325 ± 0.0001 Å |
c | 15.2956 ± 0.0002 Å |
α | 100.03 ± 0.001° |
β | 93.778 ± 0.001° |
γ | 106.51 ± 0.001° |
Cell volume | 1430.56 ± 0.03 Å3 |
Cell temperature | 99.9 ± 0.3 K |
Ambient diffraction temperature | 99.9 ± 0.3 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 | 0.0505 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7130479.html
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