Information card for entry 4336088

Structure parameters

• Formula: C20 H38 B N4 Na O5
• Calculated formula: C20 H38 B N4 Na O5
• SMILES: [Na]123([O]=C4N([BH2][n]5c(O1)n(cc5)C(C)(C)C)C=CN4C(C)(C)C)[O](C)CC[O]2CC[O]3C
• 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: 9.546 ± 0.002 Å
• b: 9.704 ± 0.002 Å
• c: 27.19 ± 0.006 Å
• α: 90°
• β: 97.744 ± 0.004°
• γ: 90°
• Cell volume: 2495.8 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.164
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No