Information card for entry 7104843

Structure parameters

• Formula: C38 H84 O18 Ti4
• Calculated formula: C38 H77 O18 Ti4
• Title of publication: On the water promoted reaction of titanium isopropoxide with carbon dioxide
• Authors of publication: Ghosh, Rajshekhar; Nethaji, Munirathinam; Samuelson, Ashoka G.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2556 - 2557
• a: 11.843 ± 0.002 Å
• b: 12.358 ± 0.003 Å
• c: 20.466 ± 0.004 Å
• α: 85.668 ± 0.004°
• β: 81.109 ± 0.004°
• γ: 67.083 ± 0.004°
• Cell volume: 2725.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No