Information card for entry 4346447

Structure parameters

• Chemical name: (E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one with Zn(II) 2:1 copmplex and 0.90 methanol
• Formula: C57.8 H43.2 N10 O3.8 Zn
• Calculated formula: C57.8 H36 N10 O3.8 Zn
• Title of publication: Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.
• Authors of publication: Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8423 - 8435
• a: 18.6633 ± 0.0001 Å
• b: 14.0837 ± 0.0001 Å
• c: 18.5416 ± 0.0001 Å
• α: 90°
• β: 93.0418 ± 0.0005°
• γ: 90°
• Cell volume: 4866.76 ± 0.05 ų
• Cell temperature: 119.9 ± 0.14 K
• Ambient diffraction temperature: 119.9 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No