Information card for entry 7038734

Structure parameters

• Formula: C96 H120 Cl8 F12 N6 O19 Rh4 S4
• Calculated formula: C86 H96 Cl4 F12 N6 O17 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: 20.953 ± 0.004 Å
• b: 15.154 ± 0.003 Å
• c: 35.765 ± 0.007 Å
• α: 90°
• β: 101.596 ± 0.003°
• γ: 90°
• Cell volume: 11124 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1489
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.3125
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No