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Information card for entry 1568249
Preview
Coordinates | 1568249.cif |
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Original paper (by DOI) | HTML |
Chemical name | rac-ClMBA-SnCl |
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Formula | C16 H22 Cl8 N2 Sn |
Calculated formula | C16 H22 Cl8 N2 Sn |
Title of publication | Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions. |
Authors of publication | Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He |
Journal of publication | Materials horizons |
Year of publication | 2023 |
Journal volume | 10 |
Journal issue | 3 |
Pages of publication | 1005 - 1011 |
a | 14.1247 ± 0.0002 Å |
b | 7.1094 ± 0.0001 Å |
c | 12.3083 ± 0.0002 Å |
α | 90° |
β | 97.523 ± 0.001° |
γ | 90° |
Cell volume | 1225.34 ± 0.03 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0736 |
Residual factor for significantly intense reflections | 0.0723 |
Weighted residual factors for significantly intense reflections | 0.1945 |
Weighted residual factors for all reflections included in the refinement | 0.1956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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283514 (current) | 2023-05-05 | cif/ Updating files of 1568244, 1568245, 1568246, 1568247, 1568248, 1568249 Original log message: Adding full bibliography for 1568244--1568249.cif. |
1568249.cif |
280247 | 2023-01-07 | cif/ Adding structures of 1568244, 1568245, 1568246, 1568247, 1568248, 1568249 via cif-deposit CGI script. |
1568249.cif |
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Users of the data should acknowledge the original authors of the
structural data.