Information card for entry 7047566

Structure parameters

• Common name: 7
• Chemical name: 7
• Formula: C65 H114 N2 Si4 Ti2
• Calculated formula: C65 H114 N2 Si4 Ti2
• Title of publication: Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.
• Authors of publication: Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14531 - 14539
• a: 17.0419 ± 0.0013 Å
• b: 14.2566 ± 0.0011 Å
• c: 27.6286 ± 0.0016 Å
• α: 90°
• β: 94.809 ± 0.007°
• γ: 90°
• Cell volume: 6689 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No