Information card for entry 4331082

Structure parameters

• Formula: C44 H62 Cl2 Cu F6 N2 O2 Sb
• Calculated formula: C44 H62 Cl2 Cu F6 N2 O2 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Cu]123Oc4c(cc(cc4C=[N]2[C@H]2CCC[C@@H]([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)C2)C(C)(C)C)C(C)(C)C.ClCCl.Cc1ccccc1
• Title of publication: New Insights into the Electronic Structure and Reactivity of One-Electron Oxidized Copper(II)-(Disalicylidene)diamine Complexes
• Authors of publication: Kazutaka Asami; Kazuaki Tsukidate; Satoshi Iwatsuki; Fumito Tani; Satoru Karasawa; Linus Chiang; Tim Storr; Fabrice Thomas; Yuichi Shimazaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12450 - 12461
• a: 11.139 ± 0.002 Å
• b: 11.429 ± 0.002 Å
• c: 20.579 ± 0.004 Å
• α: 85.91 ± 0.01°
• β: 77.049 ± 0.01°
• γ: 68.7 ± 0.01°
• Cell volume: 2378.7 ± 0.8 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No