Information card for entry 7041998

Structure parameters

• Formula: C58 H39 B3 N32 O12
• Calculated formula: C58 H39 B3 N32 O12
• 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: 15.46 ± 0.005 Å
• b: 9.897 ± 0.005 Å
• c: 41.241 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.289 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6300 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No