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Information card for entry 2312603
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Coordinates | 2312603.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (Ethanolato)(subphthalocyaninato)boron |
---|---|
Formula | C26 H17 B N6 O |
Calculated formula | C26 H17 B N6 O |
Title of publication | The influence of the axial group on the crystal structures of boron subphthalocyanines. |
Authors of publication | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 10 |
a | 9.0304 ± 0.0005 Å |
b | 14.2423 ± 0.0008 Å |
c | 16.4452 ± 0.0009 Å |
α | 90° |
β | 102.476 ± 0.003° |
γ | 90° |
Cell volume | 2065.1 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0441 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/2312603.html
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Users of the data should acknowledge the original authors of the
structural data.