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Information card for entry 4514365
Preview
Coordinates | 4514365.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H40 F6 Fe Li N O8 P2 S2 |
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Calculated formula | C21 H40 F6 Fe Li N O8 P2 S2 |
Title of publication | Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide |
Authors of publication | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 1338 |
a | 8.6289 ± 0.0006 Å |
b | 29.4056 ± 0.0019 Å |
c | 13.2362 ± 0.0011 Å |
α | 90° |
β | 108.974 ± 0.002° |
γ | 90° |
Cell volume | 3176 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
206128 (current) | 2018-02-04 | cif/ Updating files of 4514363, 4514364, 4514365 Original log message: Adding full bibliography for 4514363--4514365.cif. |
4514365.cif |
205415 | 2018-01-20 | cif/ Adding structures of 4514365 via cif-deposit CGI script. |
4514365.cif |
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