Information card for entry 4108785

Structure parameters

• Formula: C37 H57 Cu2 F6 N4 O4 Sb
• Calculated formula: C37 H57 Cu2 F6 N4 O4 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]123([O]4[Cu]5([O]14)([O]=C(O2)c1ccccc1)[N]12CCCC[C@@H]1[C@H]1C[C@@H](C2)[C@@H]2[N]5(CCCC2)C1)[N]12CCCC[C@@H]1[C@H]1C[C@@H](C2)[C@@H]2[N]3(CCCC2)C1
• Title of publication: Formation of a Bridged Butterfly-Type μ-η2:η2-Peroxo Dicopper Core Structure with a Carboxylate Group
• Authors of publication: Yasuhiro Funahashi; Tomohide Nishikawa; Yuko Wasada-Tsutsui; Yuji Kajita; Syuhei Yamaguchi; Hidekazu Arii; Tomohiro Ozawa; Koichiro Jitsukawa; Takehiko Tosha; Shun Hirota; Teizo Kitagawa; Hideki Masuda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16444 - 16445
• a: 15.801 ± 0.009 Å
• b: 15.752 ± 0.009 Å
• c: 18.259 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4545 ± 4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No