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Information card for entry 4083534
Preview
Coordinates | 4083534.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H68 B2 F10 Mg O4 P2 |
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Calculated formula | C48 H68 B2 F10 Mg O4 P2 |
SMILES | [Mg]1234([O]=P(C(C)(C)C)(C(C)(C)C)c5c([B]([H]2)([H]1)c1c(c(c(c(c1F)F)F)F)F)cccc5)([O]=P(C(C)(C)C)(C(C)(C)C)c1c([B]([H]3)([H]4)c2c(c(c(c(c2F)F)F)F)F)cccc1)[O](CC)CC.CCOCC |
Title of publication | Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes |
Authors of publication | Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 12 |
Pages of publication | 3163 |
a | 24.9163 ± 0.0011 Å |
b | 18.1628 ± 0.0006 Å |
c | 23.2274 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10511.6 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1189 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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