Information card for entry 7047563

Structure parameters

• Common name: 6
• Chemical name: 6
• Formula: C57 H95 Cl2 N Si4 Ti2
• Calculated formula: C57 H95 Cl2 N 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: 13.5335 ± 0.001 Å
• b: 29.979 ± 0.002 Å
• c: 14.6437 ± 0.0012 Å
• α: 90°
• β: 95.841 ± 0.007°
• γ: 90°
• Cell volume: 5910.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No