Information card for entry 2011455

Structure parameters

• Formula: C10 H12 Br8 Cu N6
• Calculated formula: C10 H12 Br8 Cu N6
• SMILES: c1(cc(c([nH+]c1N)N)Br)Br.[Cu](Br)(Br)([Br-])[Br-].c1(c(cc(c([nH+]1)N)Br)Br)N
• Title of publication: Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II)
• Authors of publication: Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e437 - e437
• a: 20.612 ± 0.01 Å
• b: 10.053 ± 0.005 Å
• c: 13.507 ± 0.007 Å
• α: 90°
• β: 127.264 ± 0.007°
• γ: 90°
• Cell volume: 2227.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes