Information card for entry 7114524

Structure parameters

• Common name: R16
• Formula: C40 H76 Cl4 Cu4 N16 O20
• Calculated formula: C20 H38 Cl1.5 Cu2 N8 O8
• Title of publication: Cu2±Induced formation of cage-like compounds containing pyrazole macrocycles
• Authors of publication: Escartí, Francisco; Miranda, Carlos; Lamarque, Laurent; Latorre, Julio; García-España, Enrique; Kumar, M.; Arán, Vicente J.; Navarro, Pilar
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 936
• a: 11.152 ± 0.005 Å
• b: 18.361 ± 0.005 Å
• c: 15.437 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.383 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3160 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No