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Information card for entry 2312608
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Coordinates | 2312608.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (Phenolato)(subphthalocyaninato)boron |
---|---|
Formula | C30 H17 B N6 O |
Calculated formula | C30 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 | 10.0268 ± 0.001 Å |
b | 10.7263 ± 0.0012 Å |
c | 11.809 ± 0.0013 Å |
α | 85.879 ± 0.004° |
β | 77.44 ± 0.003° |
γ | 66.151 ± 0.003° |
Cell volume | 1133.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/2312608.html
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Users of the data should acknowledge the original authors of the
structural data.