Information card for entry 7044872

Structure parameters

• Common name: (TerphCS2)3La
• Chemical name: Tris[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato] lanthanum(III)
• Formula: C83 H91 Cl4 La S6
• Calculated formula: C83 H91 Cl4 La S6
• SMILES: C1(c2c(cccc2c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)=[S][La]23([S]=C(S2)c2c(c4ccc(cc4)C(C)(C)C)cccc2c2ccc(cc2)C(C)(C)C)(S1)[S]=C(S3)c1c(cccc1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: f-Block complexes of a m-terphenyl dithiocarboxylate ligand.
• Authors of publication: Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 96 - 104
• a: 20.1124 ± 0.0013 Å
• b: 25.4125 ± 0.0016 Å
• c: 17.7928 ± 0.0011 Å
• α: 90°
• β: 120.118 ± 0.003°
• γ: 90°
• Cell volume: 7866.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No