Information card for entry 7028796

Structure parameters

• Formula: C60 H68 F6 N4 O12 Rh2 S2
• Calculated formula: C60 H64 F6 N4 O10 Rh2 S2
• SMILES: CC1=C2C(C)=[O][Rh]3456([n]7cn(c8ccc(C=Cc9ccc(cc9)C=Cc9ccc(n%10c[n](cc%10)[Rh]%10%11%12%13%14(OC(=C2C(C)=[O]%10)C)[c]2([c]%11([c]%12([c]%13([c]%142C)C)C)C)C)cc9)cc8)cc7)(O1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.
• Authors of publication: Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2356 - 2360
• a: 31.441 ± 0.005 Å
• b: 17.427 ± 0.003 Å
• c: 23.221 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12723 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No