Information card for entry 7718176

Structure parameters

• Formula: C26 H42 N2 Si2 Zr
• Calculated formula: C26 H42 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: 10.0604 ± 0.0005 Å
• b: 12.2719 ± 0.0006 Å
• c: 12.7261 ± 0.0005 Å
• α: 68.935 ± 0.002°
• β: 70.603 ± 0.002°
• γ: 86.636 ± 0.001°
• Cell volume: 1379.66 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No