Information card for entry 1501458

Structure parameters

• Formula: C32 H26 K N2 O4 S4
• Calculated formula: C32 H26 In K N2 O4 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: 12.307 ± 0.003 Å
• b: 13.672 ± 0.003 Å
• c: 20.575 ± 0.004 Å
• α: 90°
• β: 92.356 ± 0.004°
• γ: 90°
• Cell volume: 3459 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No