Information card for entry 4336086

Structure parameters

• Formula: C47 H51 B2 Ga2 I2 N8 O4
• Calculated formula: C44 H44 B2 Ga2 I2 N8 O4
• SMILES: [Ga]1([Ga]2(I)[O]=C3N([BH2][n]4c(n(c5c4cccc5)C)O2)c2ccccc2N3C)(I)[O]=C2N([BH2][n]3c(n(c4c3cccc4)C)O1)c1ccccc1N2C.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands
• Authors of publication: Ahmed Al-Harbi; Yi Rong; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10226 - 10228
• a: 16.6643 ± 0.0012 Å
• b: 16.3434 ± 0.0011 Å
• c: 18.5556 ± 0.0013 Å
• α: 90°
• β: 96.982 ± 0.001°
• γ: 90°
• Cell volume: 5016.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No