Information card for entry 1501459

Structure parameters

• Formula: C28.75 H22 Li N0.5 O4.25 S4
• Calculated formula: C28.75 H21.5 In Li N0.5 O4.25 S4
• Title of publication: New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2)
• Authors of publication: Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3755 - 3760
• a: 24.5766 ± 0.0008 Å
• b: 13.2758 ± 0.0005 Å
• c: 19.9983 ± 0.0008 Å
• α: 90°
• β: 108.426 ± 0.001°
• γ: 90°
• Cell volume: 6190.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No