Information card for entry 4303631

Structure parameters

• Common name: Tri(mu-oxo)tris((DiferrocenylBob)titanium(IV)) bis(chloroform) bis (tetrahydrofuran) solvate
• Formula: C130 H114 Cl6 Fe6 O17 Ti3
• Calculated formula: C120 H96 Fe6 O15 Ti3
• Title of publication: Intermetallic Communication in Titanium(IV) Ferrocenyldiketonates
• Authors of publication: Lea T. Dulatas; Seth N. Brown; Edema Ojomo; Bruce C. Noll; Matthew J. Cavo; Paul B. Holt; Matthew M. Wopperer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10789 - 10799
• a: 15.8856 ± 0.0009 Å
• b: 24.3763 ± 0.0014 Å
• c: 30.8018 ± 0.0017 Å
• α: 90°
• β: 92.654 ± 0.003°
• γ: 90°
• Cell volume: 11914.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No