Information card for entry 4344226

Structure parameters

• Formula: C250 H236 F12 O14 P16 Pd8 S12
• Calculated formula: C250 H236 F12 O14 P16 Pd8 S12
• SMILES: C1C[P]([Pd]2([P]1(c1ccccc1)c1ccccc1)[S]1Cc3ccc(cc3)C[S]3[Pd]4([P](CC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)[S](Cc4ccc(cc4)C[S]4[Pd]5([P](CC[P]5(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[S](Cc5ccc(cc5)C[S]5[Pd]6([P](CC[P]6(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)[S](Cc6ccc(cc6)C[S]2[Pd]21[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]15[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]14[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]13[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C.[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].C(=O)(C)C.C(F)(F)(F)S(=O)(=O)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• 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: 17.2155 ± 0.0016 Å
• b: 21.975 ± 0.002 Å
• c: 22.457 ± 0.002 Å
• α: 61.808 ± 0.001°
• β: 71.33 ± 0.001°
• γ: 68.64 ± 0.001°
• Cell volume: 6859.2 ± 1.1 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: 0.0724
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No