Information card for entry 4336090

Structure parameters

• Formula: C32 H32 B2 I2 N8 O4 Zn2
• Calculated formula: C32 H32 B2 I2 N8 O4 Zn2
• SMILES: I[Zn]123[O]([Zn]45(I)[O]1=C1N([BH]([H]4)N4C(=[O]5)N(c5c4cccc5)C)c4ccccc4N1C)=C1N([BH]([H]3)N3C(=[O]2)N(c2c3cccc2)C)c2ccccc2N1C
• 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: 8.797 ± 0.003 Å
• b: 10.599 ± 0.004 Å
• c: 11.305 ± 0.004 Å
• α: 68.735 ± 0.005°
• β: 78.585 ± 0.005°
• γ: 67.408 ± 0.005°
• Cell volume: 904.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No