Information card for entry 4337350

Structure parameters

• Formula: C144 H178 Ba4 O33 Ti2
• Calculated formula: C144 H178 Ba4 O33 Ti2
• Title of publication: Transformation of Barium-Titanium Chloro-Alkoxide Compound to BaTiO3 Nanoparticles by BaCl2 Elimination.
• Authors of publication: Kosińska-Klähn, Magdalena; John, Lukasz; Drąg-Jarząbek, Anna; Utko, Józef; Petrus, Rafał; Jerzykiewicz, Lucjan B.; Sobota, Piotr
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1630 - 1636
• a: 13.381 ± 0.003 Å
• b: 15.794 ± 0.003 Å
• c: 18.948 ± 0.004 Å
• α: 107.01 ± 0.02°
• β: 106.43 ± 0.03°
• γ: 103.81 ± 0.02°
• Cell volume: 3440 ± 1.7 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No