Information card for entry 4341986

Structure parameters

• Common name: bis((3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii)) bis(succinate) dimethylformamide tetra-solvate
• Formula: C72 H116 Cu2 N28 O24
• Calculated formula: C72 H116 Cu2 N28 O24
• Title of publication: Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes.
• Authors of publication: Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 47 - 58
• a: 9.3285 ± 0.0009 Å
• b: 12.55 ± 0.0012 Å
• c: 18.9817 ± 0.0018 Å
• α: 92.6312 ± 0.0018°
• β: 93.559 ± 0.0018°
• γ: 101.924 ± 0.002°
• Cell volume: 2166.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No