Information card for entry 4330933

Structure parameters

• Formula: C36 H46 Ga N4 O
• Calculated formula: C36 H46 Ga N4 O
• SMILES: C1c2cccc[n]2[Ga]2([N]=1c1c(cccc1C(C)C)C(C)C)([OH2])[N](=Cc1cccc[n]21)c1c(cccc1C(C)C)C(C)C
• Title of publication: (IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations (IP = α-Iminopyridine)
• Authors of publication: Chelsea D. Cates; Thomas W. Myers; Louise A. Berben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11891 - 11897
• a: 21.42 ± 0.003 Å
• b: 9.7005 ± 0.0012 Å
• c: 16.92 ± 0.002 Å
• α: 90°
• β: 113.169 ± 0.002°
• γ: 90°
• Cell volume: 3232.2 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No