Information card for entry 4316591

Structure parameters

• Common name: 923 I-170 [Cu4(a-bpz*pm)4].4(CF3SO3).solv
• Chemical name: [Cu4(a-bpz*pm)4].4(CF3SO3).solv
• Formula: C60 H68 Cu4 F12 N28 O12 S4
• Calculated formula: C60 H68 Cu4 F12 N28 O12 S4
• Title of publication: New [2 x 2] Copper(I) Grids as Anion Receptors. Effect of Ligand Functionalization on the Ability to Host Counteranions by Hydrogen Bonds
• Authors of publication: M. Isabel Ortiz; M. Laura Soriano; M. Pilar Carranza; Félix A. Jalón; Jonathan W. Steed; Kurt Mereiter; Ana M. Rodríguez; David Quiñonero; Pere M. Deyà; Blanca R. Manzano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8828 - 8847
• a: 27.5148 ± 0.0016 Å
• b: 26.7525 ± 0.0016 Å
• c: 15.8348 ± 0.0009 Å
• α: 90°
• β: 111.23 ± 0.001°
• γ: 90°
• Cell volume: 10864.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No