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Information card for entry 7123659
Preview
Coordinates | 7123659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H98 Ag4 N20 O17 S4 |
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Calculated formula | C116 H96 Ag4 N20 O16 S4 |
Title of publication | A stable silver metallacage with solvatochromic and mechanochromic behaviors for white LED fabrication |
Authors of publication | Lu, Zhixiang; Cheng, Yi; Fan, Wenwen; Yang, Shaoxiong; Liu, Xiaolan; Qin, Yu; Zhao, Ruidun; Zheng, Liyan; Zhang, Hongbin |
Journal of publication | Chemical Communications |
Year of publication | 2019 |
a | 20.3071 ± 0.0005 Å |
b | 15.2401 ± 0.0003 Å |
c | 22.2814 ± 0.0005 Å |
α | 90° |
β | 94.433 ± 0.002° |
γ | 90° |
Cell volume | 6875.1 ± 0.3 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.227 |
Residual factor for significantly intense reflections | 0.1868 |
Weighted residual factors for significantly intense reflections | 0.4155 |
Weighted residual factors for all reflections included in the refinement | 0.4423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
216013 (current) | 2019-06-17 | cif/ Adding structures of 7123659 via cif-deposit CGI script. |
7123659.cif |
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structural data.