Information card for entry 4324180

Structure parameters

• Formula: C20 H28 Cl2 N12 O2 Pd S2
• Calculated formula: C20 H28 Cl2 N12 O2 Pd S2
• Title of publication: Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals
• Authors of publication: Adam Duong; Thierry Maris; James D. Wuest
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5605 - 5618
• a: 3.7721 ± 0.001 Å
• b: 11.346 ± 0.003 Å
• c: 28.99 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1240.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No