Information card for entry 2243335

Structure parameters

• Common name: bufbd02
• Chemical name: ({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) pyridine monosolvate
• Formula: C31 H29 Ga N4 O3
• Calculated formula: C31 H29 Ga N4 O3
• SMILES: [Ga]12345Oc6c(C=[N]3CC(C[N]4=Cc3ccccc3O1)(C[N]5=Cc1ccccc1O2)C)cccc6.n1ccccc1
• Title of publication: Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate
• Authors of publication: Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 615 - 620
• a: 13.359 ± 0.002 Å
• b: 20.413 ± 0.003 Å
• c: 9.747 ± 0.0015 Å
• α: 90°
• β: 98.326 ± 0.003°
• γ: 90°
• Cell volume: 2630 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes