Information card for entry 4023401

Structure parameters

• Formula: C22 H24 F6 N2 O8 S2 Zn
• Calculated formula: C22 H24 F6 N2 O8 S2 Zn
• Title of publication: Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative
• Authors of publication: Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3911 - 3914
• a: 10.1629 ± 0.0003 Å
• b: 10.1911 ± 0.0004 Å
• c: 14.7036 ± 0.0005 Å
• α: 70.77 ± 0.002°
• β: 71.313 ± 0.002°
• γ: 88.929 ± 0.002°
• Cell volume: 1355.66 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No