Information card for entry 2006898

Structure parameters

• Chemical name: (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-terbium(III)-titanium (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-erbium(III)-titanium
• Formula: C42 H98 Er0.4 O15 Tb3.6 Ti
• Calculated formula: C42 H98 Er0.4 O15 Tb3.6 Ti
• Title of publication: (Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide
• Authors of publication: Marat Moustiakimov; Mikael Kritikos; Gunnar Westin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 29 - 31
• a: 21.4236 ± 0.0009 Å
• b: 21.4236 ± 0.0009 Å
• c: 25.757 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11821.7 ± 1.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0597
• Goodness-of-fit parameter for all reflections: 0.997
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No