Information card for entry 7024368

Structure parameters

• Formula: C13 H14 Cu N4 O4 S2
• Calculated formula: C13 H14 Cu N4 O4 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: 8.0986 ± 0.0012 Å
• b: 7.6458 ± 0.0011 Å
• c: 27.468 ± 0.004 Å
• α: 90°
• β: 90.606 ± 0.003°
• γ: 90°
• Cell volume: 1700.7 ± 0.4 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: 0.1866
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No