Information card for entry 7101629

Structure parameters

• Formula: C21 H20 N4
• Calculated formula: C21 H20 N4
• Title of publication: Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.
• Authors of publication: Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2006
• Journal issue: 2
• Pages of publication: 126 - 128
• a: 7.83 ± 0.001 Å
• b: 21.154 ± 0.002 Å
• c: 22.289 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3691.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No