Information card for entry 7048773

Structure parameters

• Formula: C108.8 H134.8 Ca2 Cl0.4 O22 Si4 Zr2
• Calculated formula: C108.8 H134.8 Ca2 Cl0.4 O22 Si4 Zr2
• 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: 11.421 ± 0.003 Å
• b: 14.263 ± 0.004 Å
• c: 19.107 ± 0.005 Å
• α: 103.64 ± 0.04°
• β: 95.93 ± 0.04°
• γ: 113.43 ± 0.04°
• Cell volume: 2706.7 ± 1.8 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No