Information card for entry 2006866

Structure parameters

• Chemical name: bis(2-aminopyrimidine) tetrabromo-copper(ii)
• Formula: C8 H12 Br4 Cu N6
• Calculated formula: C8 H12 Br4 Cu N6
• SMILES: c1ccnc([nH+]1)N.Br[Cu](Br)([Br-])[Br-].c1([nH+]cccn1)N
• Title of publication: Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K
• Authors of publication: Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1786 - 1789
• a: 7.259 ± 0.002 Å
• b: 13.757 ± 0.004 Å
• c: 7.377 ± 0.003 Å
• α: 90°
• β: 99.87 ± 0.03°
• γ: 90°
• Cell volume: 725.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes