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Information card for entry 7005815
Preview
Coordinates | 7005815.cif |
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Original paper (by DOI) | HTML |
Formula | C6.333333 H18.5 I2 N3.166667 P |
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Calculated formula | C6.33333 H18.5 I2 N3.16667 P |
SMILES | N#CC.CN(C)[P+](I)(N(C)C)N(C)C.[I-] |
Title of publication | Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). |
Authors of publication | Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 30 |
Pages of publication | 3252 - 3258 |
a | 14.0028 ± 0.001 Å |
b | 14.0028 ± 0.001 Å |
c | 24.578 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4173.6 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 158 |
Hermann-Mauguin space group symbol | P 3 c 1 |
Hall space group symbol | P 3 -2"c |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
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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