Information card for entry 4338902

Structure parameters

• Formula: C69 H72 B4 F16 N6 O3 Ti3
• Calculated formula: C69 H72 B4 F16 N6 O3 Ti3
• Title of publication: Selective oxidation and reduction of trinuclear titanium(II) hexaazatrinaphthylene complexes-synthesis, structure, and electrochemical investigations.
• Authors of publication: Piglosiewicz, Ingmar M.; Beckhaus, Rüdiger; Wittstock, Gunther; Saak, Wolfgang; Haase, Detlef
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7610 - 7620
• a: 12.8067 ± 0.0006 Å
• b: 29.0762 ± 0.0011 Å
• c: 19.537 ± 0.0016 Å
• α: 90°
• β: 92.708 ± 0.008°
• γ: 90°
• Cell volume: 7266.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.3414
• Residual factor for significantly intense reflections: 0.213
• Weighted residual factors for significantly intense reflections: 0.4325
• Weighted residual factors for all reflections included in the refinement: 0.4656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No