Information card for entry 4312327

Structure parameters

• Formula: C80 H68 B2 F16 P4 Rh2 S4
• Calculated formula: C80 H68 B2 F15.94 P4 Rh2 S4
• Title of publication: Fine-Tuning the Weak-Link Approach: Effect of Ligand Electron Density on the Formation of Rhodium(I) and Iridium(I) Metallomacrocycles
• Authors of publication: Martin S. Masar; Maxim V. Ovchinnikov; Chad A. Mirkin; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6851 - 6858
• a: 16.185 ± 0.002 Å
• b: 13.7775 ± 0.0017 Å
• c: 18.615 ± 0.002 Å
• α: 90°
• β: 112.513 ± 0.003°
• γ: 90°
• Cell volume: 3834.6 ± 0.8 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 7
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No