Information card for entry 4109233

Structure parameters

• Formula: C18 H32 Cl6 N2 Sb
• Calculated formula: C18 H32 Cl6 N2 Sb
• SMILES: c1(ccc(cc1)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges
• Authors of publication: Sergiy V. Rosokha; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3683 - 3697
• a: 19.334 ± 0.007 Å
• b: 9.643 ± 0.004 Å
• c: 13.568 ± 0.005 Å
• α: 90°
• β: 90.29 ± 0.008°
• γ: 90°
• Cell volume: 2529.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1728
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No