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Information card for entry 4313116
Preview
Coordinates | 4313116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H31 B10 P |
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Calculated formula | C20 H31 B10 P |
SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC.[BH]123[BH]456[BH]783[BH]391[BH]126[BH]269[BH]973[BH]348[BH]512[BH]693 |
Title of publication | The Solid State Structure of [B10H11]- and Its Dynamic NMR Spectra in Solution |
Authors of publication | Sheldon G. Shore; Ewan J. M. Hamilton; Adam N. Bridges; Joseph Bausch; Jeanette A. Krause-Bauer; Danan Dou; Jianping Liu; Shengming Liu; Bin Du; Heather Hall; Edward A. Meyers; Karl E. Vermillion |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1175 - 1186 |
a | 11.7122 ± 0.001 Å |
b | 15.2306 ± 0.001 Å |
c | 15.0457 ± 0.001 Å |
α | 90° |
β | 112.433 ± 0.01° |
γ | 90° |
Cell volume | 2480.8 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4313116.html
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