Information card for entry 4077800

Structure parameters

• Chemical name: [η^2^-ethene]-bis[η^5^(1-trimethylsilyl-2,3,4,5-tetramethyl- cyclopentadienyl)]-titanium(II)
• Formula: C26 H46 Si2 Ti
• Calculated formula: C26 H46 Si2 Ti
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]167892345([CH2]=[CH2]7)[c]2([c]8([c]1([c]9([c]62C)C)C)C)[Si](C)(C)C)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: 17.241 ± 0.005 Å
• b: 8.309 ± 0.002 Å
• c: 18.878 ± 0.005 Å
• α: 90°
• β: 98.65 ± 0.02°
• γ: 90°
• Cell volume: 2673.6 ± 1.2 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No