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Information card for entry 7242992
Preview
Coordinates | 7242992.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H29 I2 N O2 |
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Calculated formula | C36 H29 I2 N O2 |
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 | 9.33 ± 0.003 Å |
b | 12.726 ± 0.003 Å |
c | 15.427 ± 0.003 Å |
α | 72.271 ± 0.01° |
β | 76.816 ± 0.012° |
γ | 70.156 ± 0.01° |
Cell volume | 1625.1 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1183 |
Weighted residual factors for all reflections included in the refinement | 0.1304 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7242992.html
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