Information card for entry 7703269

Structure parameters

• Formula: C27 H32 Cl2 Cu N8 O9
• Calculated formula: C27 H32 Cl2 Cu N8 O9
• Title of publication: Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties
• Authors of publication: Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario
• Journal of publication: Dalton Transactions
• Year of publication: 2020
• a: 12.3325 ± 0.0003 Å
• b: 14.5161 ± 0.0004 Å
• c: 33.7255 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6037.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No