Information card for entry 7038738

Structure parameters

• Formula: C88 H130 F12 N6 O30 Rh4 S4
• Calculated formula: C80 H86 F12 N6 O16 Rh4 S4
• SMILES: c1cccc2C=C3C4=[O][Rh]5678(O4)([n]4ccc(c9cc[n](cc9)[Rh]9%10%11%12%13(C(=Cc%14cccc[n]9%14)C9=[O][Rh]%14%15%16%17([n]%18ccc(c%19cc[n](cc%19)[Rh]%19%20%21%223([n]12)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)cc%18)(O9)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)cc4)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• 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: 29.337 ± 0.005 Å
• b: 14.113 ± 0.002 Å
• c: 14.318 ± 0.002 Å
• α: 90°
• β: 112.28 ± 0.003°
• γ: 90°
• Cell volume: 5485.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No