Information card for entry 7038737

Structure parameters

• Formula: C71 H84 Cl6 F12 N6 O16 Rh4 S4
• Calculated formula: C70 H82 Cl4 F12 N6 O16 Rh4 S4
• Title of publication: Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.
• Authors of publication: Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7014 - 7021
• a: 22.801 ± 0.0019 Å
• b: 12.679 ± 0.0011 Å
• c: 32.042 ± 0.003 Å
• α: 90°
• β: 97.457 ± 0.001°
• γ: 90°
• Cell volume: 9184.8 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No