Information card for entry 4077798

Structure parameters

• Chemical name: [η^2^-bis(trimethylsilyl)ethyne]-bis[η^5^(1-trimethylsilyl-2,3,4,5- tetramethyl-cyclopentadienyl)]-titanium(II)
• Formula: C32 H60 Si4 Ti
• Calculated formula: C32 H60 Si4 Ti
• SMILES: [Ti]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)[Si](C)(C)C)(C(=C5[Si](C)(C)C)[Si](C)(C)C)[c]1([c]6([c]7([c]8([c]91C)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: 18.807 ± 0.002 Å
• b: 18.927 ± 0.002 Å
• c: 21.214 ± 0.002 Å
• α: 90°
• β: 97.18 ± 0.016°
• γ: 90°
• Cell volume: 7492.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No