Information card for entry 4316157

Structure parameters

• Formula: C81 H135 Li3 N12 O2.25 S6
• Calculated formula: C80.96 H134.92 Li3 N12 O2.24 S6
• Title of publication: Li+, Cu+, and Ag+ Oligonuclear Structures with the Sterically Demanding Bis(3,5-tertbutylpyrazol-1-yl)dithioacetate Heteroscorpionate Ligand
• Authors of publication: Irene Bassanetti; Marcello Gennari; Luciano Marchiò; Mattia Terenghi; Lisa Elviri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7007 - 7015
• a: 27.095 ± 0.001 Å
• b: 15.709 ± 0.001 Å
• c: 46.906 ± 0.002 Å
• α: 90°
• β: 110.35 ± 0.01°
• γ: 90°
• Cell volume: 18719 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No