Information card for entry 4310672

Structure parameters

• Common name: Gapma
• Chemical name: tris-[2-(((pyrrole-2-yl)methylidene)amino)ethyl]amine gallium(III)
• Formula: C21 H24 Ga N7
• Calculated formula: C21 H24 Ga N7
• SMILES: c1ccc2C=[N]3CCN4CC[N]5=Cc6cccn6[Ga]635(n12)n1cccc1C=[N]6CC4
• Title of publication: Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes
• Authors of publication: Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1697 - 1707
• a: 20.2377 ± 0.0004 Å
• b: 20.2377 ± 0.0004 Å
• c: 20.2377 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8288.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No