Information card for entry 7048765

Structure parameters

• Formula: C133 H128 Al2 Ba O12 Si4
• Calculated formula: C133 H128 Al2 Ba O12 Si4
• Title of publication: Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.
• Authors of publication: Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 4283 - 4298
• a: 11.227 ± 0.004 Å
• b: 14.518 ± 0.004 Å
• c: 35.949 ± 0.009 Å
• α: 88.46 ± 0.02°
• β: 85.33 ± 0.02°
• γ: 86.8 ± 0.02°
• Cell volume: 5829 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No