Information card for entry 4076666

Structure parameters

• Formula: C56 H90 N2 O4 Si2 Ti2
• Calculated formula: C56 H90 N2 O4 Si2 Ti2
• Title of publication: Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands
• Authors of publication: Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1512
• a: 10.382 ± 0.002 Å
• b: 11.219 ± 0.002 Å
• c: 12.817 ± 0.003 Å
• α: 85 ± 0.03°
• β: 79.14 ± 0.03°
• γ: 83.65 ± 0.03°
• Cell volume: 1453.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.1505
• Weighted residual factors for significantly intense reflections: 0.0738
• Goodness-of-fit parameter for all reflections: 0.734
• Goodness-of-fit parameter for significantly intense reflections: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No