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Information card for entry 7244276
Preview
Coordinates | 7244276.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H45 Cl9 F3 N3 Sb2 |
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Calculated formula | C30 H45 Cl9 F3 N3 Sb2 |
SMILES | [Sb](Cl)(Cl)(Cl)[Cl-].[Sb](Cl)(Cl)Cl.[N+](C)(C)(Cc1ccc(F)cc1)C.[N+](C)(Cc1ccc(F)cc1)(C)C.[N+](Cc1ccc(F)cc1)(C)(C)C.[Cl-].[Cl-] |
Title of publication | Band gap modulation of organic–inorganic Sb(iii) halide by molecular design |
Authors of publication | Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 9.275 ± 0.002 Å |
b | 13.826 ± 0.003 Å |
c | 18.274 ± 0.004 Å |
α | 83.423 ± 0.005° |
β | 89.796 ± 0.006° |
γ | 76.621 ± 0.005° |
Cell volume | 2264.1 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.1152 |
Residual factor for significantly intense reflections | 0.0898 |
Weighted residual factors for significantly intense reflections | 0.2772 |
Weighted residual factors for all reflections included in the refinement | 0.3029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272214 (current) | 2022-01-25 | cif/ Adding structures of 7244275, 7244276, 7244277, 7244278 via cif-deposit CGI script. |
7244276.cif |
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Users of the data should acknowledge the original authors of the
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