Information card for entry 4133695

Structure parameters

• Formula: C72 H66 F9 In N6 Na0.5 O6 P1.5
• Calculated formula: C72 H66 F9 In N6 Na0.5 O6 P1.5
• Title of publication: Organic Electron Delocalization Modulated by Ligand Charge States in [L₂M]^<i>n-</i> Complexes of Group 13 Ions.
• Authors of publication: Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15792 - 15803
• a: 13.7314 ± 0.0002 Å
• b: 32.7897 ± 0.0006 Å
• c: 16.3067 ± 0.0003 Å
• α: 90°
• β: 96.0838 ± 0.0012°
• γ: 90°
• Cell volume: 7300.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No