Information card for entry 7024364

Structure parameters

• Formula: C18 H16 I4 N8 S4 Zn2
• Calculated formula: C18 H16 I4 N8 S4 Zn2
• SMILES: I[Zn]1(I)[n]2c(SCSc3[n]([Zn](I)(I)[n]4c(SCSc5[n]1cccn5)nccc4)cccn3)nccc2
• 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: 11.3042 ± 0.001 Å
• b: 16.8885 ± 0.0015 Å
• c: 17.0363 ± 0.0016 Å
• α: 90°
• β: 106.906 ± 0.002°
• γ: 90°
• Cell volume: 3111.9 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No