Information card for entry 4344225

Structure parameters

• Formula: C132 H112 F12 O12 P8 Pd4 S8
• Calculated formula: C132 H112 F12 O12 P8 Pd4 S8
• Title of publication: Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction.
• Authors of publication: Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10153 - 10162
• a: 14.619 ± 0.003 Å
• b: 14.797 ± 0.003 Å
• c: 18.15 ± 0.003 Å
• α: 92.291 ± 0.002°
• β: 113.233 ± 0.002°
• γ: 91.287 ± 0.002°
• Cell volume: 3601.8 ± 1.2 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No