Information card for entry 7038178

Structure parameters

• Formula: C76 H92 F12 N12 O16 Rh4 S4
• Calculated formula: C76 H92 F12 N12 O16 Rh4 S4
• SMILES: c1cc2cc[n]1[Rh]13456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)[N](=CC)N=C(c3cc[n](cc3)[Rh]34567([c]8([c]4([c]5([c]6([c]78C)C)C)C)C)[N](=CC)N=C(c4cc[n](cc4)[Rh]45678([c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[N](=CC)N=C(c5cc[n]([Rh]6789%10([c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)[N](N=C2O6)=CC)cc5)O4)O3)O1.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.
• Authors of publication: Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4534 - 4540
• a: 20.036 ± 0.003 Å
• b: 20.036 ± 0.003 Å
• c: 12.234 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4911.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No