Information card for entry 4350415

Structure parameters

• Formula: C152 H162 Cl9 Lu N37 O27 Pr
• Calculated formula: C152 H126 Cl9 Lu N37 O27 Pr
• SMILES: [Lu]12345678[O]=C(N(CC)CC)c9[n]4c(c4[n]3c3c(n4CC)ccc(Cc4cc%10[n]%11[Pr]%12%13%14%15%16([n]%17c%18ccccc%18n(c%17c%17[n]%12c(ccc%17)c%11n(c%10cc4)CC)CC)([n]4c%10ccccc%10n(c4c4[n]%13c(ccc4)c4[n]%14c%10c(n4CC)ccc(c%10)Cc4ccc%10n(c([n]5c%10c4)c4[n]6c(cc(Cl)c4)C(=[O]1)N(CC)CC)CC)CC)[n]1c4ccccc4n(c1c1[n]%15c(ccc1)c1[n]%16c4c(n1CC)ccc(c4)Cc1ccc4n(c([n]7c4c1)c1[n]8c(cc(Cl)c1)C(=[O]2)N(CC)CC)CC)CC)c3)cc(Cl)c9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CCC.N#CCC.N#CC.N#CC.N#CCC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Lanthanide triple-stranded helicates: controlling the yield of the heterobimetallic species.
• Authors of publication: Jensen, Thomas B.; Scopelliti, Rosario; Bünzli, Jean-Claude G
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7806 - 7814
• a: 15.0634 ± 0.0011 Å
• b: 19.327 ± 0.0018 Å
• c: 30.237 ± 0.002 Å
• α: 104.096 ± 0.007°
• β: 100.842 ± 0.006°
• γ: 96.221 ± 0.007°
• Cell volume: 8274.9 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1902
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No