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Information card for entry 7700263
Preview
Coordinates | 7700263.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H32.35 B20 N3 O3.68 S3 |
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Calculated formula | C11 H32.356 B20 N3 O3.678 S3 |
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 | 7.14 ± 0.0003 Å |
b | 20.7827 ± 0.0006 Å |
c | 20.3119 ± 0.0005 Å |
α | 90° |
β | 96.755 ± 0.003° |
γ | 90° |
Cell volume | 2993.13 ± 0.17 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0961 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1613 |
Weighted residual factors for all reflections included in the refinement | 0.181 |
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 | Yes |
Has Fobs | No |
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