Information card for entry 1100935

Structure parameters

• Formula: C18 H46 Na8 O38 Ti
• Calculated formula: C18 H36 Na8 O38 Ti
• Title of publication: Titanium(IV) Citrate Speciation and Structure under Environmentally and Biologically Relevant Conditions
• Authors of publication: Joseph M. Collins; Ritika Uppal; Christopher D. Incarvito; Ann M. Valentine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3431 - 3440
• a: 11.634 ± 0.002 Å
• b: 13.223 ± 0.003 Å
• c: 13.291 ± 0.003 Å
• α: 99.27 ± 0.03°
• β: 92.21 ± 0.03°
• γ: 99.95 ± 0.03°
• Cell volume: 1982.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No