Information card for entry 7038176

Structure parameters

• Formula: C84 H88 F12 N8 O16 Rh4 S4
• Calculated formula: C84 H88 F12 N8 O16 Rh4 S4
• SMILES: FC(F)(F)S(=O)(=O)[O-].[c]12([c]3([c]4([c]5([c]1(C)[Rh]162345n2cccc2C(=[O]6)c2cc[n](cc2)[Rh]23456(n7cccc7C(=[O]2)c2cc[n](cc2)[Rh]2789%10(n%11cccc%11C(=[O]2)c2cc[n](cc2)[Rh]2%11%12%13%14(n%15cccc%15C(=[O]2)c2cc[n]1cc2)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)C)C)C)C.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: 19.927 ± 0.003 Å
• b: 19.927 ± 0.003 Å
• c: 12.252 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4865.1 ± 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: 0.156
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No