Information card for entry 4316589

Structure parameters

• Common name: 921 I-119 [Cu4(a-bpz*pm)4](BF4)4.solv
• Chemical name: [Cu4(a-bpz*pm)4](BF4)4.solv
• Formula: C56 H68 B4 Cu4 F16 N28
• Calculated formula: C56 H68 B3.576 Cu4 F15.804 N28
• 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: 15.4109 ± 0.0008 Å
• b: 15.876 ± 0.0008 Å
• c: 20.2866 ± 0.001 Å
• α: 94.91 ± 0.001°
• β: 100.478 ± 0.001°
• γ: 118.41 ± 0.001°
• Cell volume: 4207 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No