Information card for entry 4318337

Structure parameters

• Formula: C84 H104 Cu2 F12 N4 O4 P2
• Calculated formula: C84 H104 Cu2 F12 N4 O4 P2
• Title of publication: Copper(I) Ion Mediated Self-Organization of Molecular Rectangular Boxes from 1,2-Bis(2-pyridylethynyl)benzene Ligands with Bulky Substituents
• Authors of publication: Tomikazu Kawano; Jun Kuwana; Chong-Xu Du; Ikuo Ueda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4078 - 4080
• a: 13.707 ± 0.004 Å
• b: 14.891 ± 0.003 Å
• c: 12.03 ± 0.001 Å
• α: 101.65 ± 0.02°
• β: 115.08 ± 0.02°
• γ: 97.66 ± 0.01°
• Cell volume: 2110.8 ± 0.9 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No