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Information card for entry 2312602
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Coordinates | 2312602.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (Ethanolato)(subphthalocyaninato)boron |
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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 | 9.0313 ± 0.0014 Å |
b | 14.22 ± 0.002 Å |
c | 16.474 ± 0.002 Å |
α | 90° |
β | 102.667 ± 0.004° |
γ | 90° |
Cell volume | 2064.2 ± 0.5 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 | 0.082 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294359 (current) | 2024-09-04 | cif/ Adding structures of 2312599, 2312600, 2312601, 2312602, 2312603, 2312604, 2312605, 2312606, 2312607, 2312608, 2312609, 2312610, 2312611, 2312612, 2312613, 2312614, 2312615, 2312616 via cif-deposit CGI script. |
2312602.cif |
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Users of the data should acknowledge the original authors of the
structural data.