Information card for entry 4129613

Structure parameters

• Formula: C150 H202 F24 N16 O45 Rh8 S8
• Calculated formula: C141 H156 F21 N16 O32 Rh8 S7
• SMILES: [Rh]123456([n]7c8c[n]9[Rh]%10%11%12%13%14([N]%15O[Rh]%16%17%18%19([n]%20ccc(cc%20)c%20cc[n]([Rh]%21%22%23%24%25([n]%26cc%27[n]([Rh]%28%29%30%31([N]%32O[Rh]%33%34%35%36([n]%37ccc(c%38cc[n]2cc%38)cc%37)(OC%27=%32)[c]2([c]%33([c]%34([c]%35([c]%362C)C)C)C)C)([n]2ccc(c%27cc[n]([Rh]%32%33%34%35%36(OC8=[N]1O%32)[c]1([c]%33([c]%34([c]%35([c]%361C)C)C)C)C)cc%27)cc2)[c]1([c]%28([c]%29([c]%30([c]%311C)C)C)C)C)cc%26C1=[N]%21O[Rh]28%21%26([n]%27ccc(c%28cc[n]%10cc%28)cc%27)(O1)[c]1([c]2([c]8([c]%21([c]%261C)C)C)C)C)[c]1([c]%22([c]%23([c]%24([c]%251C)C)C)C)C)cc%20)(OC=%15c9c7)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.CO.CO.O
• 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: 17.305 ± 0.003 Å
• b: 22.004 ± 0.004 Å
• c: 26.541 ± 0.004 Å
• α: 81.648 ± 0.003°
• β: 83.117 ± 0.003°
• γ: 67.148 ± 0.002°
• Cell volume: 9192 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No