Information card for entry 4300937

Structure parameters

• Formula: C6 H6 O2 S
• Calculated formula: C6 H6 O2 S
• Title of publication: Group 13 and Lanthanide Complexes with Mixed O,S Anionic Ligands Derived from Maltol
• Authors of publication: Monga, Vishakha; Patrick, Brian O.; Orvig, Chris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2666 - 2677
• a: 5.3762 ± 0.0007 Å
• b: 8.7559 ± 0.0009 Å
• c: 13.602 ± 0.002 Å
• α: 90°
• β: 99.755 ± 0.004°
• γ: 90°
• Cell volume: 631.04 ± 0.14 ų
• Cell temperature: 188.2 K
• Ambient diffraction temperature: 188.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No