Information card for entry 1518310

Structure parameters

• Formula: C12 H28 Ba3 O26
• Calculated formula: C12 Ba3 O26
• Title of publication: The many roles of mellitic acid during barium sulfate crystallization.
• Authors of publication: Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca
• Journal of publication: Faraday discussions
• Year of publication: 2015
• Journal volume: 179
• Pages of publication: 343 - 357
• a: 13.4109 ± 0.0002 Å
• b: 16.2568 ± 0.0004 Å
• c: 27.9028 ± 0.0006 Å
• α: 90°
• β: 98.984 ± 0.002°
• γ: 90°
• Cell volume: 6008.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No