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Information card for entry 7710249
Preview
Coordinates | 7710249.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H84 Cl9 In N6 |
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Calculated formula | C54 H84 Cl9 In N6 |
SMILES | [In]([Cl-])(Cl)([Cl-])(Cl)(Cl)[Cl-].[Cl-].[Cl-].[Cl-].[NH3+]C[C@@H](C)c1ccccc1.[NH3+]C[C@H](c1ccccc1)C.[NH3+]C[C@H](c1ccccc1)C.[NH3+]C[C@@H](C)c1ccccc1.[NH3+]C[C@H](c1ccccc1)C.[NH3+]C[C@H](c1ccccc1)C |
Title of publication | 0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation |
Authors of publication | Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 17.0073 ± 0.0002 Å |
b | 17.0073 ± 0.0002 Å |
c | 39.207 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 9821.2 ± 0.2 Å3 |
Cell temperature | 100.3 ± 0.8 K |
Ambient diffraction temperature | 100.3 ± 0.8 K |
Number of distinct elements | 5 |
Space group number | 152 |
Hermann-Mauguin space group symbol | P 31 2 1 |
Hall space group symbol | P 31 2" |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7710249.html
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