Information card for entry 4331640

Structure parameters

• Formula: C12 H22.5 Cl1.5 N4 O6.5 Zn
• Calculated formula: C12 H22.5 Cl1.5 N4 O6.5 Zn
• Title of publication: Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions
• Authors of publication: Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 304 - 314
• a: 15.252 ± 0.002 Å
• b: 15.419 ± 0.003 Å
• c: 14.605 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3434.7 ± 1.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No