Information card for entry 4324183

Structure parameters

• Formula: C22 H34 Cl2 N12 O3 Pd S3
• Calculated formula: C22 H34 Cl2 N12 O3 Pd S3
• 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: 37.2003 ± 0.0009 Å
• b: 8.0105 ± 0.0002 Å
• c: 11.0946 ± 0.0003 Å
• α: 90°
• β: 93.53 ± 0.001°
• γ: 90°
• Cell volume: 3299.84 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No