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Information card for entry 2017965
Preview
Coordinates | 2017965.cif |
---|---|
Structure factors | 2017965.hkl |
Original IUCr paper | HTML |
Chemical name | bis(trimethylphenylammonium) hexa-μ~2~-bromido-tetrabromidocuprate(II) |
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Formula | C18 H28 Br10 Cu4 N2 |
Calculated formula | C18 H28 Br10 Cu4 N2 |
SMILES | [Cu]1(Br)(Br)[Br][Cu]2([Br]1)[Br][Cu]1([Br]2)[Br][Cu]([Br]1)(Br)Br.[N+](c1ccccc1)(C)(C)C.[N+](c1ccccc1)(C)(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 | 6.3969 ± 0.0001 Å |
b | 11.8734 ± 0.0002 Å |
c | 12.2699 ± 0.0003 Å |
α | 107.693 ± 0.001° |
β | 100.607 ± 0.001° |
γ | 100.888 ± 0.001° |
Cell volume | 842.33 ± 0.03 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017965.html
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