Information card for entry 4077799

Structure parameters

• Chemical name: [η^5^(1-trimethylsilyl-2,3,4,5-tetramethyl-cyclopentadienyl)]-titanium(II)
• Formula: C24 H42 Si2 Ti
• Calculated formula: C24 H42 Si2 Ti
• SMILES: [Ti]12345678([c]9([c]1([c]4([c]8([c]79C)C)C)C)[Si](C)(C)C)[c]1([c]2([c]5([c]6([c]31C)C)C)C)[Si](C)(C)C
• Title of publication: Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene
• Authors of publication: Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3572
• a: 14.087 ± 0.003 Å
• b: 11.5738 ± 0.0017 Å
• c: 16.137 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No