Information card for entry 4316588

Structure parameters

• Common name: 899 I135 [Cu4(bpzpm)4](ClO4)4.solv xx1mes2 sqz
• Chemical name: [Cu4(bpzpm)4](ClO4)4.solv
• Formula: C40 H36 Cl4 Cu4 N28 O16
• Calculated formula: C40 H36 Cl4 Cu4 N28 O17.691
• 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: 23.363 ± 0.0013 Å
• b: 15.3043 ± 0.0008 Å
• c: 20.5706 ± 0.0011 Å
• α: 90°
• β: 111.049 ± 0.001°
• γ: 90°
• Cell volume: 6864.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No