Information card for entry 4113031

Structure parameters

• Formula: C78 H47 Cl4 N12 O14 Re4
• Calculated formula: C78 H48 Cl4 N12 O14 Re4
• Title of publication: Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer
• Authors of publication: Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12989 - 13001
• a: 12.401 ± 0.004 Å
• b: 11.578 ± 0.003 Å
• c: 26.649 ± 0.008 Å
• α: 90°
• β: 97.184 ± 0.005°
• γ: 90°
• Cell volume: 3796.2 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No