Information card for entry 4328289

Structure parameters

• Formula: C62 H84 Cu2 F12 N8 O2 Sb2 Se2
• Calculated formula: C62 H84 Cu2 F12 N8 O2 Sb2 Se2
• SMILES: C12CC3CC(C1)[NH]([Cu]1([NH]2Cc2ccccc2)([Se]2[Cu]45([NH](C6CC(CC(C6)[NH]5Cc5ccccc5)[NH]4Cc4ccccc4)Cc4ccccc4)[Se]12)[NH]3Cc1ccccc1)Cc1ccccc1.[F-][Sb](F)(F)(F)(F)F.N(C(=O)C)(C)C.[F-][Sb](F)(F)(F)(F)F.N(C(=O)C)(C)C
• Title of publication: Synthesis, Characterization, and Reactivity of a Novel μ-η2:η2-Diselenidodicopper(II) Complex
• Authors of publication: Jun Matsumoto; Yuji Kajita; Hideki Masuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1236 - 1238
• a: 10.7328 ± 0.0013 Å
• b: 12.6019 ± 0.0016 Å
• c: 13.1529 ± 0.0016 Å
• α: 98.7432 ± 0.0018°
• β: 91.8632 ± 0.0012°
• γ: 97.4674 ± 0.0017°
• Cell volume: 1740.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No