Information card for entry 7007529

Structure parameters

• Formula: C27 H20 Ga N3 O3
• Calculated formula: C27 H20 Ga N3 O3
• SMILES: [Ga]12([n]3c4c(O1)cccc4ccc3C)([n]1c3c(O2)cccc3ccc1C)Oc1ccc(cc1)C#N
• 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: 9.199 ± 0.002 Å
• b: 9.67 ± 0.002 Å
• c: 15.109 ± 0.003 Å
• α: 106.774 ± 0.004°
• β: 91.538 ± 0.004°
• γ: 114.381 ± 0.003°
• Cell volume: 1155.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0291
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No