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Information card for entry 1567468
Preview
Coordinates | 1567468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C133.5 H147 Cl2 N7 Pt2 |
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Calculated formula | C133.5 H147 Cl2 N7 Pt2 |
Title of publication | Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation |
Authors of publication | Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 10.4183 ± 0.0001 Å |
b | 17.4812 ± 0.0002 Å |
c | 34.5651 ± 0.0002 Å |
α | 85.025 ± 0.001° |
β | 89.306 ± 0.001° |
γ | 73.296 ± 0.001° |
Cell volume | 6006.25 ± 0.1 Å3 |
Cell temperature | 220.1 ± 0.8 K |
Ambient diffraction temperature | 220.1 ± 0.8 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 | 0.0637 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1484 |
Weighted residual factors for all reflections included in the refinement | 0.1547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567468.html
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Users of the data should acknowledge the original authors of the
structural data.