Information card for entry 7047567

Structure parameters

• Common name: 9
• Chemical name: 9
• Formula: C59 H105 Cl N2 Si4 Ti2
• Calculated formula: C59 H104 Cl 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: 15.863 ± 0.004 Å
• b: 20.452 ± 0.004 Å
• c: 20.552 ± 0.005 Å
• α: 79.849 ± 0.019°
• β: 77.59 ± 0.02°
• γ: 76.639 ± 0.019°
• Cell volume: 6279 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.236
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No