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Information card for entry 7242990
Preview
Coordinates | 7242990.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H22 B Cl2 F2 N O |
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Calculated formula | C33 H22 B Cl2 F2 N O |
Title of publication | The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals |
Authors of publication | García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 34 |
Pages of publication | 5908 - 5917 |
a | 6.0896 ± 0.0004 Å |
b | 9.3799 ± 0.0006 Å |
c | 24.4891 ± 0.0015 Å |
α | 84.352 ± 0.002° |
β | 86.909 ± 0.002° |
γ | 87.232 ± 0.002° |
Cell volume | 1388.7 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1301 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7242990.html
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