Information card for entry 2229534

Structure parameters

• Chemical name: Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]
• Formula: C38 H36 Br6 Cu2 N2 O4
• Calculated formula: C38 H36 Br6 Cu2 N2 O4
• SMILES: c1(cccc([nH+]1)c1c(OC)cccc1)c1c(cccc1)OC.[Br]1[Cu]([Br][Cu]1(Br)Br)(Br)Br.c1(cccc([nH+]1)c1c(OC)cccc1)c1c(cccc1)OC
• Title of publication: Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]
• Authors of publication: Sangtrirutnugul, Preeyanuch; Haesuwannakij, Setsiri; Sooksimuang, Thanasat; Prabpai, Samran; Kongsaeree, Palangpon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m299 - m300
• a: 11.5329 ± 0.0001 Å
• b: 17.0104 ± 0.0004 Å
• c: 21.0021 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4120.18 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes