Information card for entry 4347012

Structure parameters

• Formula: C45.5 H52 N9 O7.5 Zn2
• Calculated formula: C45.5 H52 N9 O7.5 Zn2
• Title of publication: Dinuclear Zinc(II) Macrocyclic Complex as Receptor for Selective Fluorescence Sensing of Pyrophosphate.
• Authors of publication: Mesquita, Lígia M; André, Vânia; Esteves, Catarina V.; Palmeira, Tiago; Berberan-Santos, Mário N; Mateus, Pedro; Delgado, Rita
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2212 - 2219
• a: 22.323 ± 0.002 Å
• b: 24.481 ± 0.002 Å
• c: 24.687 ± 0.002 Å
• α: 111.03 ± 0.005°
• β: 91.991 ± 0.005°
• γ: 101.809 ± 0.005°
• Cell volume: 12239.3 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1547
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No