Information card for entry 2017967

Structure parameters

• Chemical name: bis(2-chloro-1-methylpyridinium) dodeca-μ~2~bromido-tetrabromidoheptacuprate(II)
• Formula: C12 H14 Br16 Cl2 Cu7 N2
• Calculated formula: C12 H13.004 Br16 Cl2 Cu7 N2
• 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: 7.2353 ± 0.0001 Å
• b: 10.7361 ± 0.0002 Å
• c: 12.8913 ± 0.0002 Å
• α: 90.985 ± 0.001°
• β: 105.006 ± 0.001°
• γ: 100.374 ± 0.001°
• Cell volume: 949.27 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes