Information card for entry 7718178

Structure parameters

• Formula: C17 H22 N2 Ti
• Calculated formula: C17 H22 N2 Ti
• Title of publication: Isolation of the parent triplet titanocene <i>via</i> NHC stabilisation.
• Authors of publication: Meyer, Felix; Demeshko, Serhiy; Golz, Christopher; Townrow, Oliver P. E.; Fischer, Malte
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8035 - 8040
• a: 11.1662 ± 0.0014 Å
• b: 12.1486 ± 0.0015 Å
• c: 19.0591 ± 0.0012 Å
• α: 108.24 ± 0.002°
• β: 93.973 ± 0.003°
• γ: 111.063 ± 0.003°
• Cell volume: 2242.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No