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Information card for entry 1571980
Preview
Coordinates | 1571980.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H52 I4 Mo8 O28 S2 |
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Calculated formula | C52 H52 I4 Mo8 O28 S2 |
Title of publication | Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate. |
Authors of publication | Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 31 |
Pages of publication | 12459 - 12472 |
a | 13.0495 ± 0.0003 Å |
b | 14.4726 ± 0.0003 Å |
c | 20.8666 ± 0.0005 Å |
α | 100.464 ± 0.001° |
β | 98.6 ± 0.001° |
γ | 115.289 ± 0.001° |
Cell volume | 3387.69 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0694 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294481 (current) | 2024-09-06 | cif/ Updating files of 1571977, 1571978, 1571979, 1571980, 1571981 Original log message: Adding full bibliography for 1571977--1571981.cif. |
1571980.cif |
292548 | 2024-06-25 | cif/ Adding structures of 1571977, 1571978, 1571979, 1571980, 1571981 via cif-deposit CGI script. |
1571980.cif |
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Users of the data should acknowledge the original authors of the
structural data.