Information card for entry 4338409

Structure parameters

• Formula: C60 H60 F6 N10 O10 Pd4 S2
• Calculated formula: C60 H60 F6 N10 O10 Pd4 S2
• SMILES: c1c2c3cc4c1N1[Pd]([n]5c(CCN6[Pd]7([N](Cc8c7cccc8)(C)C)Oc7c6cc6c(c7)O[Pd]7(N6CCc6[n]7cccc6)[n]6c(CCN2[Pd]2([N](Cc7c2cccc7)(C)C)O3)cccc6)cccc5)([n]2c(CC1)cccc2)O4.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.
• Authors of publication: Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5515 - 5526
• a: 31.4152 ± 0.0015 Å
• b: 31.4152 ± 0.0015 Å
• c: 29.3524 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28968 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No