Information card for entry 4336083

Structure parameters

• Formula: C40 H76 B2 N8 Na2 O7
• Calculated formula: C34 H62 B2 N8 Na2 O7
• SMILES: [Na]1234[O](c5[n]([BH2]N6C(N(C=C6)C(C)(C)C)=[O]1)ccn5C(C)(C)C)[Na]15([O]=C6N([BH2][n]7c([O]21)n(cc7)C(C)(C)C)C=CN6C(C)(C)C)[O](CC[O]35CC[O]4C)C
• 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: 23.626 ± 0.003 Å
• b: 15.8447 ± 0.0018 Å
• c: 17.432 ± 0.002 Å
• α: 90°
• β: 128.969 ± 0.002°
• γ: 90°
• Cell volume: 5073.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No