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Information card for entry 7029335
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Coordinates | 7029335.cif |
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Original paper (by DOI) | HTML |
Chemical name | tetrabutylammonium bis(undecahydro-7,8-dicarba -nido-decaborate(1-)-1-yl)ethyne |
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Formula | C38 H94 B18 N2 |
Calculated formula | C38 H94 B18 N2 |
Title of publication | Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods. |
Authors of publication | Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 13 |
Pages of publication | 4969 - 4977 |
a | 14.8236 ± 0.0017 Å |
b | 18.229 ± 0.002 Å |
c | 19.262 ± 0.002 Å |
α | 90° |
β | 100.12 ± 0.002° |
γ | 90° |
Cell volume | 5124 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1974 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.1491 |
Weighted residual factors for all reflections included in the refinement | 0.2024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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