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Information card for entry 7007763
Preview
Coordinates | 7007763.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [NEt4]+[2-Ph-closo-2-CB6H6]- |
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Formula | C15 H31 B6 N |
Calculated formula | C15 H31 B6 N |
SMILES | [C]123(c4ccccc4)[BH]456[BH]71[BH]14[BH]45[BH]26[BH]3714.C(C)[N+](CC)(CC)CC |
Title of publication | Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species. |
Authors of publication | Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 48 |
Pages of publication | 5753 - 5769 |
a | 14.438 ± 0.003 Å |
b | 15.762 ± 0.003 Å |
c | 16.877 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3840.7 ± 1.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0807 |
Residual factor for significantly intense reflections | 0.0701 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.1877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.6883 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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