Information card for entry 4348033

Structure parameters

• Common name: jaa15_0m
• Chemical name: [(C21H29NO8)Cu(C4H8O)](SO3CF3)2
• Formula: C27 H37 Cu F6 N O15 S2
• Calculated formula: C27 H37 Cu F6 N O15 S2
• SMILES: C1(C2(C(=[O][Cu]34([n]5c2cccc5C(C(=[O]3)OCC)(C(=[O]4)OCC)C)([O]=1)[O]1CCCC1)OCC)C)OCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.
• Authors of publication: Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7527 - 7534
• a: 9.1417 ± 0.0008 Å
• b: 26.613 ± 0.002 Å
• c: 17.0582 ± 0.0014 Å
• α: 90°
• β: 95.316 ± 0.001°
• γ: 90°
• Cell volume: 4132.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No