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Information card for entry 7711076
Preview
Coordinates | 7711076.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H27 I9 S3 Sb2 |
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Calculated formula | C9 H27 I9 S3 Sb2 |
SMILES | [Sb]12(I)([I][Sb]([I]1)([I]2)(I)(I)I)(I)I.C[S+](C)C.C[S+](C)C.C[S+](C)C |
Title of publication | [SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap |
Authors of publication | Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 22.0808 ± 0.0008 Å |
b | 9.694 ± 0.0002 Å |
c | 16.2226 ± 0.0006 Å |
α | 90° |
β | 99.086 ± 0.003° |
γ | 90° |
Cell volume | 3428.9 ± 0.19 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0795 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277416 (current) | 2022-08-27 | cif/ Adding structures of 7711075, 7711076, 7711077, 7711078 via cif-deposit CGI script. |
7711076.cif |
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Users of the data should acknowledge the original authors of the
structural data.