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Information card for entry 4134303
Preview
Coordinates | 4134303.cif |
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Original paper (by DOI) | HTML |
Formula | C122.73 H157.5 Cl1.23 D103.13 N50.47 O88.88 Pd6 |
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Calculated formula | C122.736 H157.508 Cl1.228 N50.4704 O88.8324 Pd6 |
Title of publication | Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA. |
Authors of publication | Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 26.1739 ± 0.0014 Å |
b | 26.1739 ± 0.0014 Å |
c | 31.8805 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 21840 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0748 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4134303.html
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