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Information card for entry 7243742
Preview
Coordinates | 7243742.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H62 Cl6 F6 Ir N6 O4 P |
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Calculated formula | C54 H62 Cl6 F6 Ir N6 O4 P |
Title of publication | Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals |
Authors of publication | Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2021 |
a | 19.554 ± 0.004 Å |
b | 22.055 ± 0.004 Å |
c | 15.394 ± 0.003 Å |
α | 90° |
β | 117.07 ± 0.03° |
γ | 90° |
Cell volume | 5912 ± 3 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0362 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269966 (current) | 2021-10-15 | cif/ Adding structures of 7243742 via cif-deposit CGI script. |
7243742.cif |
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Users of the data should acknowledge the original authors of the
structural data.