Information card for entry 7024367

Structure parameters

• Formula: C27 H24 Br4 Cu2 N12 S6
• Calculated formula: C27 H24 Br4 Cu2 N12 S6
• 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: 6.941 ± 0.0008 Å
• b: 12.1361 ± 0.0015 Å
• c: 12.3184 ± 0.0015 Å
• α: 75.178 ± 0.002°
• β: 76.019 ± 0.002°
• γ: 76.433 ± 0.002°
• Cell volume: 956.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No