Information card for entry 2017271

Structure parameters

• Chemical name: bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II)
• Formula: C16 H24 Br4 Cu N2
• Calculated formula: C16 H24 Br4 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[n+]1(C)cc(C)c(C)cc1.[n+]1(C)cc(C)c(C)cc1
• Title of publication: Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type
• Authors of publication: Bond, Marcus R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m279 - m283
• a: 17.8882 ± 0.0004 Å
• b: 14.8736 ± 0.0003 Å
• c: 8.3772 ± 0.0001 Å
• α: 90°
• β: 96.854 ± 0.001°
• γ: 90°
• Cell volume: 2212.93 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes