Information card for entry 1508166

Structure parameters

• Formula: C120 H76 B2 F48 O4 Pd4
• Calculated formula: C120 H76 B2 F48 O4 Pd4
• SMILES: [Pd]123456[Pd]789%10[Pd]%11%12%13%14[Pd]%15%16%17%18([CH](c%19ccc(OC)cc%19)=[CH]%15[CH]%16=[CH]%11[c]%11%12cccc[c]9%11[CH]%10=[CH]4[CH]5=[CH]6c4ccc(OC)cc4)[CH](=[CH]%14[c]4%13[c]8([CH]7=[CH]3[CH]2=[CH]1c1ccc(OC)cc1)cccc4)[CH]%17=[CH]%18c1ccc(OC)cc1.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.
• Authors of publication: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 52 - 58
• a: 28.2551 ± 0.0005 Å
• b: 19.2999 ± 0.0004 Å
• c: 21.1845 ± 0.0004 Å
• α: 90°
• β: 97.2296 ± 0.0007°
• γ: 90°
• Cell volume: 11460.5 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No