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Information card for entry 1572582
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Coordinates | 1572582.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2 |
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Formula | C20 H26 F18 Fe N14 P3 |
Calculated formula | C20 H26 F18 Fe N14 P3 |
Title of publication | Exploring the impact of abnormal coordination in macrocyclic N-heterocyclic carbene ligands on bio-inspired iron epoxidation catalysis |
Authors of publication | Zámbó, Greta Gundis; Esslinger, Carla Astrid Astrid; Sauer, Michael Johannes; Rüter, Isabelle; Reich, Robert M.; Demeshko, Serhiy; Meyer, Franc; Kühn, Fritz Elmar |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2024 |
a | 9.2748 ± 0.0002 Å |
b | 17.666 ± 0.0005 Å |
c | 11.4201 ± 0.0003 Å |
α | 90° |
β | 104.193 ± 0.001° |
γ | 90° |
Cell volume | 1814.05 ± 0.08 Å3 |
Cell temperature | 297 K |
Ambient diffraction temperature | 297 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0499 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1572582.html
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