Information card for entry 7042001

Structure parameters

• Formula: C18 H14 B N9 O4
• Calculated formula: C18 H14 B N9 O4
• Title of publication: New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.
• Authors of publication: Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3014 - 3024
• a: 10.114 ± 0.0006 Å
• b: 11.7988 ± 0.0007 Å
• c: 17.7771 ± 0.001 Å
• α: 87.703 ± 0.002°
• β: 74.253 ± 0.002°
• γ: 79.855 ± 0.002°
• Cell volume: 2009.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No