Information card for entry 4079814

Structure parameters

• Formula: C15 H14 Ga N O2
• Calculated formula: C15 H14 Ga N O2
• SMILES: [Ga]1(Oc2c(cccc2)c2oc3ccccc3[n]12)(C)C
• Title of publication: Diorgano-Gallium and -Indium Complexes Derived from Benzoazole Ligands: Synthesis, Characterization, Photoluminescence, and Computational Studies
• Authors of publication: Pal, Manoj K.; Kushwah, Nisha; Manna, Debashree; Wadawale, Amey; Sudarsan, V.; Ghanty, Tapan K.; Jain, Vimal K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 104
• a: 6.362 ± 0.004 Å
• b: 13.419 ± 0.005 Å
• c: 16.041 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1369.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No