Information card for entry 4321372

Structure parameters

• Chemical name: [Ti4O2(i-PrO)6](CpFeCpCO2)6.1.32CH2Cl2
• Formula: C85.32 H98.64 Cl2.64 Fe6 O20 Ti4
• Calculated formula: C85.322 H98.644 Cl2.644 Fe6 O20 Ti4
• Title of publication: Synthesis and Characterization of a Novel Asymmetric Ferrocene Alkoxycarboxylate of Titanium, Ti4O2(OiPr)6{(η5-O2CC5H4)Fe(η5-C5H5)}6
• Authors of publication: Alec Bailey; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4374 - 4376
• a: 17.09 ± 0.005 Å
• b: 21.612 ± 0.004 Å
• c: 24.548 ± 0.005 Å
• α: 90°
• β: 100.129 ± 0.014°
• γ: 90°
• Cell volume: 8925 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No