Information card for entry 7051173

Structure parameters

• Chemical name: bis(3-methylpyridinium) tetrabromocuprate(II)
• Formula: C12 H16 Br4 Cu N2
• Calculated formula: C12 H16 Br4 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[nH+]1cc(ccc1)C.[nH+]1cc(ccc1)C
• Title of publication: Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions
• Authors of publication: Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 1208
• a: 9.165 ± 0.001 Å
• b: 13.592 ± 0.002 Å
• c: 14.404 ± 0.003 Å
• α: 90°
• β: 102.41 ± 0.02°
• γ: 90°
• Cell volume: 1752.4 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.081
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.43
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No