Information card for entry 4300934

Structure parameters

• Formula: C18 H15 Ga O6 S3
• Calculated formula: C18 H15 Ga O6 S3
• SMILES: C12=[S][Ga]34(OC1=C(C)OC=C2)(OC1=C(C)OC=CC1=[S]3)OC1=C(C)OC=CC1=[S]4
• 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: 8.4962 ± 0.0007 Å
• b: 12.8539 ± 0.0008 Å
• c: 17.959 ± 0.001 Å
• α: 85.036 ± 0.003°
• β: 83.127 ± 0.003°
• γ: 81.564 ± 0.003°
• Cell volume: 1921.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No