Information card for entry 4300935

Structure parameters

• Formula: C14 H20 N2 O4 S2
• Calculated formula: C14 H20 N2 O4 S2
• 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: 14.921 ± 0.001 Å
• b: 11.7657 ± 0.0008 Å
• c: 9.875 ± 0.001 Å
• α: 90°
• β: 112.854 ± 0.004°
• γ: 90°
• Cell volume: 1597.5 ± 0.2 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 5
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No