Information card for entry 4314740

Structure parameters

• Formula: C58 H72 N18 O20 Pd3 S2
• Calculated formula: C58 H72 N18 O20 Pd3 S2
• Title of publication: Synthetic and Computational Studies on Factors Controlling Structures of Molecular Triangles and Squares and Their Equilibrium in Solutions
• Authors of publication: Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2008 - 2015
• a: 14.6642 ± 0.0003 Å
• b: 27.8763 ± 0.0005 Å
• c: 21.4233 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8757.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No