Information card for entry 7721084

Structure parameters

• Formula: C39 H36 Cl4 Si Zr
• Calculated formula: C39 H36 Cl4 Si Zr
• Title of publication: Cyclopropyl <i>vs.</i> isopropyl in zirconocenes: unexpected catalytic performance in propylene polymerization.
• Authors of publication: Samsonov, Oleg V.; Sharikov, Mikhail I.; Urintsev, Danil I.; Kulyabin, Pavel S.; Goryunov, Georgy P.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 7910 - 7917
• a: 23.8232 ± 0.0005 Å
• b: 14.6364 ± 0.0004 Å
• c: 9.6812 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3375.7 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No