Information card for entry 7024369

Structure parameters

• Formula: C9 H8 Br Cu N4 S2
• Calculated formula: C9 H8 Br Cu N4 S2
• Title of publication: Molecular metallocycles, acyclic metallodimers and 2D coordination polymers containing the twisted ligand bis(pyrimidin-2-ylthio)methane.
• Authors of publication: Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Lago, Ana Belén; Vázquez-López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2385 - 2394
• a: 7.4615 ± 0.0008 Å
• b: 19.921 ± 0.002 Å
• c: 8.8263 ± 0.0009 Å
• α: 90°
• β: 111.281 ± 0.002°
• γ: 90°
• Cell volume: 1222.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No