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Information card for entry 4518876
Preview
Coordinates | 4518876.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H60 F9 Ir2 N10 O12 S3 |
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Calculated formula | C55 H60 F9 Ir2 N10 O12 S3 |
Title of publication | Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand |
Authors of publication | Alshakova, Iryna D.; Albrecht, Martin |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 8999 - 9007 |
a | 11.74509 ± 0.00017 Å |
b | 12.84178 ± 0.00011 Å |
c | 22.3981 ± 0.0003 Å |
α | 83.3036 ± 0.0011° |
β | 84.813 ± 0.0012° |
γ | 72.8119 ± 0.0011° |
Cell volume | 3199.79 ± 0.07 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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267408 (current) | 2021-07-09 | cif/ Adding structures of 4518876 via cif-deposit CGI script. |
4518876.cif |
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Users of the data should acknowledge the original authors of the
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