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Information card for entry 7230362
Preview
Coordinates | 7230362.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H47 Ca2 Cl N6 O16 |
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Calculated formula | C46 H47 Ca2 Cl N6 O16 |
Title of publication | The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore |
Authors of publication | Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 17 |
Pages of publication | 2430 |
a | 9.8893 ± 0.0009 Å |
b | 16.7182 ± 0.0004 Å |
c | 17.3044 ± 0.0004 Å |
α | 63.933 ± 0.002° |
β | 78.652 ± 0.007° |
γ | 86.531 ± 0.005° |
Cell volume | 2518.6 ± 0.3 Å3 |
Cell temperature | 291.87 ± 0.1 K |
Ambient diffraction temperature | 291.87 ± 0.1 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 | 0.0693 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1762 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7230362.html
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Users of the data should acknowledge the original authors of the
structural data.