Information card for entry 4336085

Structure parameters

• Formula: C34 H36 B2 Cl4 I2 N8 O4 Zn2
• Calculated formula: C34 H36 B2 Cl4 I2 N8 O4 Zn2
• SMILES: I[Zn]12[O]([Zn]3(I)[O]1=C1N([BH2]N4C(=[O]3)N(c3c4cccc3)C)c3ccccc3N1C)=C1N([BH2]N3C(=[O]2)N(c2c3cccc2)C)c2ccccc2N1C.C(Cl)Cl.C(Cl)Cl
• 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: 8.9863 ± 0.0011 Å
• b: 10.5954 ± 0.0013 Å
• c: 12.2767 ± 0.0014 Å
• α: 74.05 ± 0.002°
• β: 72.881 ± 0.002°
• γ: 68.703 ± 0.002°
• Cell volume: 1022.2 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No