Information card for entry 7007528

Structure parameters

• Formula: C26 H21 Ga N2 O3
• Calculated formula: C26 H21 Ga N2 O3
• SMILES: [Ga]12([n]3c4c(O1)cccc4ccc3C)([n]1c3c(O2)cccc3ccc1C)Oc1ccccc1
• Title of publication: Experimental and computational evidence of the intermolecular motifs in the crystal packing of luminescent pentacoordinated gallium(iii) complexes
• Authors of publication: Crispini, Alessandra; Aiello, Iolinda; La Deda, Massimo; De Franco, Irene; Amati, Mario; Lelj, Francesco; Ghedini, Mauro
• Journal of publication: Dalton Transactions
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5124
• a: 15.7355 ± 0.0012 Å
• b: 10.9021 ± 0.0008 Å
• c: 13.2088 ± 0.0011 Å
• α: 90°
• β: 103.836 ± 0.003°
• γ: 90°
• Cell volume: 2200.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0544
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No