Information card for entry 7132150

Structure parameters

• Formula: C2 Ba O5
• Calculated formula: C2 Ba O5
• Title of publication: Twisted [C₂O₅]^2--groups in Ba[C₂O₅] pyrocarbonate.
• Authors of publication: Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 14.9484 ± 0.0007 Å
• b: 14.9484 ± 0.0007 Å
• c: 4.8464 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 937.86 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for significantly intense reflections: 2.28
• Goodness-of-fit parameter for all reflections included in the refinement: 2.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.2901 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No