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Information card for entry 1567470
Preview
Coordinates | 1567470.cif |
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Original paper (by DOI) | HTML |
Formula | C112.5 H123 Cl2 N7 Ni Pt |
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Calculated formula | C95 H103 Cl2 N7 Ni Pt |
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 | 15.4224 ± 0.0002 Å |
b | 18.4372 ± 0.0002 Å |
c | 18.7956 ± 0.0003 Å |
α | 68.623 ± 0.001° |
β | 81.391 ± 0.001° |
γ | 81.851 ± 0.001° |
Cell volume | 4898.58 ± 0.12 Å3 |
Cell temperature | 99.9 ± 0.3 K |
Ambient diffraction temperature | 99.9 ± 0.3 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1309 |
Residual factor for significantly intense reflections | 0.1288 |
Weighted residual factors for significantly intense reflections | 0.3035 |
Weighted residual factors for all reflections included in the refinement | 0.3046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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277220 (current) | 2022-08-13 | cif/ Adding structures of 1567468, 1567469, 1567470 via cif-deposit CGI script. |
1567470.cif |
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Users of the data should acknowledge the original authors of the
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