Information card for entry 4129622

Structure parameters

• Formula: C56 H86 F12 N4 O22 Rh4 S4
• Calculated formula: C56 H86 F12 N4 O22 Rh4 S4
• SMILES: c1[n]2[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)([N]3C(c2c[n]2c1C1[N](=[O][Rh]4567([O]=1)([OH]C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C)[Rh]14562([c]2([c]1([c]4([c]5([c]62C)C)C)C)C)[OH]C)=[O][Rh]1245([O]=3)([OH]C)[c]3([c]5([c]4([c]2([c]13C)C)C)C)C)[OH]C.FC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)F.CO.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CO
• Title of publication: Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.
• Authors of publication: Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13670 - 13678
• a: 12.6919 ± 0.0009 Å
• b: 13.366 ± 0.0009 Å
• c: 22.7913 ± 0.0016 Å
• α: 90°
• β: 100.487 ± 0.001°
• γ: 90°
• Cell volume: 3801.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No