Information card for entry 7044873

Structure parameters

• Common name: (TerphCS2)3La(toluene)
• Chemical name: Tris[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato]-(toluene) lanthanum(III) toluene solvate
• Formula: C95 H103 La S6
• Calculated formula: C95 H103 La S6
• SMILES: [La]12345678([S]=C(S1)c1c(cccc1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)([S]=C(S3)c1c(cccc1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)([S]=C(S2)c1c(c2ccc(cc2)C(C)(C)C)cccc1c1ccc(C(C)(C)C)cc1)[cH]1[cH]5[cH]6[cH]8[cH]4[c]71C.c1ccccc1C
• 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: 14.1644 ± 0.0008 Å
• b: 15.2313 ± 0.0008 Å
• c: 21.2845 ± 0.0012 Å
• α: 77.987 ± 0.003°
• β: 70.849 ± 0.003°
• γ: 75.738 ± 0.002°
• Cell volume: 4163.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No