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Information card for entry 1565532
Preview
Coordinates | 1565532.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H36 Cl7 N4 O2 Sb |
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Calculated formula | C20 H36 Cl7 N4 O2 Sb |
SMILES | C1C[NH+](CC[NH2+]1)c1ccccc1.O.[Cl-].Cl[Sb](Cl)([Cl-])Cl.[Cl-].C1C[NH+](CC[NH2+]1)c1ccccc1.O.[Cl-] |
Title of publication | Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence |
Authors of publication | Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2021 |
Journal volume | 125 |
Journal issue | 45 |
Pages of publication | 25112 - 25118 |
a | 15.8872 ± 0.0003 Å |
b | 27.0504 ± 0.0005 Å |
c | 8.1864 ± 0.0002 Å |
α | 90° |
β | 101.837 ± 0.002° |
γ | 90° |
Cell volume | 3443.33 ± 0.13 Å3 |
Cell temperature | 298.86 ± 0.1 K |
Ambient diffraction temperature | 298.86 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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