Information card for entry 4511666

Structure parameters

• Formula: C14 H14 B Li N4 O6
• Calculated formula: C18 H14 B Li N2 O6
• Title of publication: Structural Features of Lithium Organoborates
• Authors of publication: Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 111
• a: 8.7941 ± 0.0017 Å
• b: 9.9647 ± 0.0019 Å
• c: 11.84 ± 0.002 Å
• α: 105.778 ± 0.003°
• β: 92.193 ± 0.004°
• γ: 112.421 ± 0.003°
• Cell volume: 911.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No