Information card for entry 7042896

Structure parameters

• Formula: C73 H54 B2 Cl2 F10 N4
• Calculated formula: C73 H54 B2 Cl2 F10 N4
• Title of publication: FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.
• Authors of publication: Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5308 - 5319
• a: 13.95 ± 0.003 Å
• b: 15.254 ± 0.005 Å
• c: 14.255 ± 0.003 Å
• α: 90°
• β: 91.584 ± 0.016°
• γ: 90°
• Cell volume: 3032.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1614
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No