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Information card for entry 1559792
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Coordinates | 1559792.cif |
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Original paper (by DOI) | HTML |
Formula | B6.001 H14.002 N2 |
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Calculated formula | B6 H14.0002 N2.00016 |
Title of publication | Accurate crystal structures and chemical properties from NoSpherA2. |
Authors of publication | Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1675 - 1692 |
a | 9.10295 ± 0.00012 Å |
b | 9.10295 ± 0.00012 Å |
c | 9.10295 ± 0.00012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 754.304 ± 0.017 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.0105 |
Residual factor for significantly intense reflections | 0.0095 |
Weighted residual factors for significantly intense reflections | 0.0234 |
Weighted residual factors for all reflections included in the refinement | 0.0236 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9106 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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