Information card for entry 7716028

Structure parameters

• Chemical name: 47diMe56triptZrCl2
• Formula: C68 H62 Cl2 Si Zr
• Calculated formula: C68 H62 Cl2 Si Zr
• Title of publication: Triptycene as a scaffold in metallocene catalyzed olefin polymerization.
• Authors of publication: Kulyabin, Pavel S.; Sharikov, Mikhail I.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Goryunov, Georgy P.; Alexeev, Nikita V.; Uborsky, Dmitry V.; Vittoria, Antonio; Antinucci, Giuseppe; Ehm, Christian; Budzelaar, Peter H. M.; Cipullo, Roberta; Busico, Vincenzo; Voskoboynikov, Alexander Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9516 - 9525
• a: 13.3784 ± 0.0007 Å
• b: 14.5841 ± 0.0008 Å
• c: 15.1837 ± 0.0008 Å
• α: 110.935 ± 0.001°
• β: 103.351 ± 0.0011°
• γ: 96.2143 ± 0.0011°
• Cell volume: 2632.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No