Information card for entry 2010016

Structure parameters

• Formula: C57 H136 Ba4 O23 Ti4
• Calculated formula: C57 H133 Ba4 O23 Ti4
• Title of publication: Tetra-μ~4~-oxo-tris(2-propanol)tetrakis[tetrakis(2-propanolato)titanium]tetrabarium
• Authors of publication: Gaskins, Ben; Lannutti, John J.; Finnen, Daniel C.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1387 - 1390
• a: 13.7601 ± 0.0007 Å
• b: 26.229 ± 0.002 Å
• c: 24.106 ± 0.003 Å
• α: 90°
• β: 101.219 ± 0.007°
• γ: 90°
• Cell volume: 8533.9 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No