Information card for entry 4336084

Structure parameters

• Formula: C44 H60 B2 N8 Na2 O10
• Calculated formula: C44 H60 B2 N8 Na2 O10
• SMILES: [Na]1234([O]=C5N([BH2][n]6c(n(c7c6cccc7)C)[O]1[Na]16([O]=C7N([BH2][n]8c([O]21)n(c1c8cccc1)C)c1ccccc1N7C)[O](CCOC)CC[O]6C)c1ccccc1N5C)[O](C)CC[O]3CC[O]4C
• 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: 11.2105 ± 0.0011 Å
• b: 11.7527 ± 0.0011 Å
• c: 19.0172 ± 0.0018 Å
• α: 76.215 ± 0.001°
• β: 79.235 ± 0.001°
• γ: 82.738 ± 0.001°
• Cell volume: 2381.8 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No