Information card for entry 7029757

Structure parameters

• Formula: C56 H140 Fe O44 Ti14
• Calculated formula: C56 H138.948 Fe O44 Ti14
• Title of publication: A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania.
• Authors of publication: Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8679 - 8689
• a: 14.379 ± 0.002 Å
• b: 14.379 ± 0.002 Å
• c: 23.815 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4923.9 ± 1.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No