Information card for entry 7134791

Structure parameters

• Chemical name: Li2BDC
• Formula: C4 H2 Li O2
• Calculated formula: C4 H2 Li O2
• Title of publication: Chemical lithiation reveals the structures of conjugated tetralithium dicarboxylates.
• Authors of publication: Griffiths, Kieran; Cook, Chris; Seymour, Valerie R.; Bragg, Ryan J.; Halcovitch, Nathan R.; Griffin, John M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 64
• Pages of publication: 11991 - 11994
• a: 8.35839 ± 0.00016 Å
• b: 5.13401 ± 0.00012 Å
• c: 8.4796 ± 0.00016 Å
• α: 90°
• β: 93.187 ± 0.0018°
• γ: 90°
• Cell volume: 363.314 ± 0.013 ų
• Cell temperature: 290.8 ± 0.4 K
• Ambient diffraction temperature: 290.8 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No