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Information card for entry 2017970
Preview
Coordinates | 2017970.cif |
---|---|
Structure factors | 2017970.hkl |
Original IUCr paper | HTML |
Chemical name | bis(2,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II) |
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Formula | C14 H20 Br10 Cu4 N2 |
Calculated formula | C14 H20 Br10 Cu4 N2 |
SMILES | c1(cc(cc[nH+]1)C)C.[Br]1[Cu]2([Br][Cu]1(Br)Br)[Br][Cu]1([Br]2)[Br][Cu]([Br]1)(Br)Br.c1(cc(cc[nH+]1)C)C |
Title of publication | Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers |
Authors of publication | Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m22 - m34 |
a | 4.037 ± 0.0001 Å |
b | 22.3375 ± 0.0006 Å |
c | 15.8508 ± 0.0003 Å |
α | 90° |
β | 96.095 ± 0.002° |
γ | 90° |
Cell volume | 1421.29 ± 0.06 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2017970.html
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