Information card for entry 7004124

Structure parameters

• Formula: C18 H26 B2 N4
• Calculated formula: C18 H26 B2 N4
• SMILES: N1(N(c2ccccc2)B(N(C)C)C(C)B1N(C)C)c1ccccc1
• Title of publication: Tuning the electronic properties of cyclopentadienyl analogs with CB2N2 frameworks: 1,2-diphenyl-1,2-diaza-3,5-diborolyl ligands and their alkali metal salts
• Authors of publication: Ly, Hanh V.; Konu, Jari; Parvez, Masood; Roesler, Roland
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3454 - 3460
• a: 9.751 ± 0.003 Å
• b: 10.426 ± 0.003 Å
• c: 10.457 ± 0.003 Å
• α: 117.055 ± 0.015°
• β: 90.45 ± 0.018°
• γ: 101.589 ± 0.017°
• Cell volume: 921.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No