Information card for entry 4105714

Structure parameters

• Formula: C41 H34 Cl2 I6.02 N12 O0.98 W2
• Calculated formula: C41 H34 Cl2 I6.02005 N12 O0.98095 W2
• Title of publication: Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups
• Authors of publication: Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2856 - 2859
• a: 16.361 ± 0.0005 Å
• b: 16.8722 ± 0.0006 Å
• c: 19.1403 ± 0.0006 Å
• α: 101.272 ± 0.001°
• β: 92.969 ± 0.001°
• γ: 94.35 ± 0.002°
• Cell volume: 5154.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No