Information card for entry 4301335

Structure parameters

• Formula: C81 H63 Lu2 N24 O S6
• Calculated formula: C81 H63 Lu2 N24 O S6
• SMILES: [Lu]1234([n]5c6ccccc6n(CC)c5c5cccc(c6[n]2c2c(cccc2)n6CC)[n]15)([n]1c2ccccc2n(CC)c1c1cccc(c2[n]4c4c(cccc4)n2CC)[n]31)(N=C=S)N=C=S.[Lu]12([n]3c4ccccc4n(CC)c3c3cccc(c4[n]2c2c(cccc2)n4CC)[n]13)(N=C=S)(N=C=S)(N=C=S)N=C=S.C(#N)C.CC#N.N#CC.O
• Title of publication: Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints
• Authors of publication: Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1132 - 1147
• a: 22.8555 ± 0.0009 Å
• b: 26.5434 ± 0.0012 Å
• c: 28.6078 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17355.3 ± 1.3 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No