Information card for entry 2005086

Structure parameters

• Formula: C12 H12 O4 Ti
• Calculated formula: C12 H12 O4 Ti
• Title of publication: Bis(η^5^-cyclopentadienyl)bis(formato-<i>O</i>)titanium
• Authors of publication: Gibson, D. H.; Ding, Y.; Richardson, J. F.; Mashuta, M. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1614 - 1616
• a: 8.21 ± 0.002 Å
• b: 12.076 ± 0.005 Å
• c: 11.949 ± 0.003 Å
• α: 90°
• β: 99.71 ± 0.02°
• γ: 90°
• Cell volume: 1167.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.88
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No