Information card for entry 4078193

Structure parameters

• Formula: C32 H32 Cl4 Ga2 N2 O6
• Calculated formula: C32 H32 Cl4 Ga2 N2 O6
• SMILES: c12c(C=[N]3c4c(cccc4)[O]4[Ga]3(O2)(C)[O]2c3ccccc3[N]3=Cc5c(c(ccc5)OC)O[Ga]423C)cccc1OC.ClCCl.C(Cl)Cl
• Title of publication: Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases
• Authors of publication: Kushwah, Nisha; Pal, Manoj K.; Wadawale, Amey; Sudarsan, V.; Manna, Debashree; Ghanty, Tapan K.; Jain, Vimal K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3836
• a: 7.711 ± 0.002 Å
• b: 10 ± 0.008 Å
• c: 11.826 ± 0.003 Å
• α: 95.25 ± 0.04°
• β: 96.89 ± 0.02°
• γ: 111.19 ± 0.03°
• Cell volume: 835.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No