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Information card for entry 7062221
Preview
Coordinates | 7062221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 Bi Br3.41 I1.59 N2 |
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Calculated formula | C14 H18 Bi Br3.4127 I1.5873 N2 |
Title of publication | Unusual isostructural Br/I substitution effect on the crystal structure and optical properties of hybrid halobismuthates |
Authors of publication | Kotov, Vitalii Yu.; Lunkov, Ivan S.; Buikin, Petr A.; Kottsov, Sergey Yu.; Korlyukov, Alexander A.; Rudenko, Alexander Yu. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2023 |
Journal volume | 47 |
Journal issue | 5 |
Pages of publication | 2666 - 2672 |
a | 12.1996 ± 0.0007 Å |
b | 11.5845 ± 0.0008 Å |
c | 15.073 ± 0.0011 Å |
α | 90° |
β | 92.533 ± 0.005° |
γ | 90° |
Cell volume | 2128.1 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0853 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7062221.html
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