Information card for entry 7125522

Structure parameters

• Formula: C18 H20 B2 N12 S2 Ti
• Calculated formula: C18 H20 B2 N12 S2 Ti
• Title of publication: Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.
• Authors of publication: Kayal, A.; Kuncheria, J.; Lee, S. C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 2482 - 2483
• a: 17.0677 ± 0.0004 Å
• b: 17.2213 ± 0.0003 Å
• c: 32.9623 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9688.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.1085
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No