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Information card for entry 7700262
Preview
Coordinates | 7700262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H27 B20 N3 O2 S2 |
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Calculated formula | C8 H27 B20 N3 O2 S2 |
Title of publication | Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks. |
Authors of publication | Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 29 |
Pages of publication | 10834 - 10844 |
a | 6.8759 ± 0.0003 Å |
b | 15.9578 ± 0.0009 Å |
c | 23.8175 ± 0.0017 Å |
α | 106.697 ± 0.006° |
β | 94.109 ± 0.004° |
γ | 96.237 ± 0.004° |
Cell volume | 2473.8 ± 0.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 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 | 0.1463 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1423 |
Weighted residual factors for all reflections included in the refinement | 0.1788 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7700262.html
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