Information card for entry 4107405

Structure parameters

• Formula: C24 H32 Br2 N2 Na O10
• Calculated formula: C24 H32 Br2 N2 Na O10
• Title of publication: The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads
• Authors of publication: Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1944 - 1952
• a: 11.429 ± 0.002 Å
• b: 16.066 ± 0.003 Å
• c: 16.214 ± 0.003 Å
• α: 90°
• β: 106.861 ± 0.003°
• γ: 90°
• Cell volume: 2849.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No