Information card for entry 7106368

Structure parameters

• Common name: 5a
• Formula: C38 H30 Cl6 Co F12 N2 Ti2
• Calculated formula: C38 H30 Cl6 Co F12 N2 Ti2
• Title of publication: First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2
• Authors of publication: Hayato Tsurugi; Haruki Nagae; Kazushi Mashima
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5620
• a: 18.139 ± 0.012 Å
• b: 11.696 ± 0.007 Å
• c: 21.035 ± 0.014 Å
• α: 90°
• β: 93.064 ± 0.007°
• γ: 90°
• Cell volume: 4456 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.1462
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No