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Information card for entry 7209616
Preview
Coordinates | 7209616.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Pentabromophenolato)(subphthalocyaninato)boron |
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Chemical name | (Pentabromophenolato)(subphthalocyaninato)boron |
Formula | C33 H15 B Br5 N6 O |
Calculated formula | C33 H15 B Br5 N6 O |
Title of publication | Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines |
Authors of publication | Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 16 |
Pages of publication | 3187 |
a | 11.0395 ± 0.0003 Å |
b | 11.7114 ± 0.0004 Å |
c | 13.16 ± 0.0004 Å |
α | 115.177 ± 0.0018° |
β | 94.94 ± 0.0019° |
γ | 93.673 ± 0.0017° |
Cell volume | 1524.47 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1036 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/7209616.html
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