Information card for entry 4301038

Structure parameters

• Formula: C18 H46 Na6 O37 Ti
• Calculated formula: C18 H34 Na6 O37 Ti
• Title of publication: Mononuclear Titanium(IV)‒Citrate Complexes from Aqueous Solutions: pH-Specific Synthesis and Structural and Spectroscopic Studies in Relevance to Aqueous Titanium(IV)‒Citrate Speciation
• Authors of publication: Kefalas, E. T.; Panagiotidis, P.; Raptopoulou, C. P.; Terzis, A.; Mavromoustakos, T.; Salifoglou, A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2596 - 2605
• a: 15.511 ± 0.009 Å
• b: 15.58 ± 0.01 Å
• c: 9.848 ± 0.005 Å
• α: 85.35 ± 0.02°
• β: 76.53 ± 0.02°
• γ: 61.97 ± 0.02°
• Cell volume: 2042 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0775
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections: 0.1825
• Weighted residual factors for significantly intense reflections: 0.1628
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No