Information card for entry 4302978

Structure parameters

• Common name: [Pd2(dppp)2(4,4'-bipy)(LmXy)].4(OTf)
• Chemical name: [Pd2(dppp)2(4,4'-bipy)(LmXy)].4(OTf)
• Formula: C92 H80 F12 N8 O12 P4 Pd2 S4
• Calculated formula: C92 H80 F12 N8 O12 P4 Pd2 S4
• SMILES: [Pd]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)c1nn(cc1)Cc1cccc(c1)Cn1nc(cc1)c1cc[n]([Pd]3([P](CCC[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[n]3ccc(c4cc[n]2cc4)cc3)cc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Heteroligand Molecular "Stirrups" Using Conformationally Flexible Ditopic Pyridyl-Pyrazolyl Ligands
• Authors of publication: Jinzhen Lu; David R. Turner; Lindsay P. Harding; Stuart R. Batten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7525 - 7527
• a: 31.7475 ± 0.0008 Å
• b: 13.1008 ± 0.0004 Å
• c: 27.9322 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11617.5 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No