Information card for entry 4341985

Structure parameters

• Common name: (3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii) diperchlorate dimethyl sulfoxide hexa-solvate
• Formula: C38 H76 Cl2 Cu N12 O20 S6
• Calculated formula: C38 H76 Cl2 Cu N12 O20 S6
• 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: 10.259 ± 0.003 Å
• b: 12.451 ± 0.003 Å
• c: 14.554 ± 0.004 Å
• α: 66.14 ± 0.02°
• β: 74.18 ± 0.02°
• γ: 70.85 ± 0.02°
• Cell volume: 1584.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No