Information card for entry 7718175

Structure parameters

• Formula: C25 H40 N2 Si2 Zr
• Calculated formula: C25 H40 N2 Si2 Zr
• 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: 32.362 ± 0.01 Å
• b: 8.4 ± 0.003 Å
• c: 20.499 ± 0.007 Å
• α: 90°
• β: 106.531 ± 0.007°
• γ: 90°
• Cell volume: 5342 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No