Information card for entry 7011579

Structure parameters

• Formula: C18 H21 Cl2 N Zr
• Calculated formula: C17.99 H21 Cl2 N Zr
• Title of publication: Zirconium complexes of cyclopenta[b]pyridine: synthesis, structure, and olefin polymerization catalysis
• Authors of publication: Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Borisenko, Anatoly A.; Canich, Jo Ann M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Voskoboynikov, Alexander Z.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 2995
• a: 13.546 ± 0.002 Å
• b: 8.7659 ± 0.0011 Å
• c: 14.989 ± 0.002 Å
• α: 90°
• β: 97.552 ± 0.007°
• γ: 90°
• Cell volume: 1764.4 ± 0.4 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 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: 0.1745
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections: 0.2837
• Weighted residual factors for significantly intense reflections: 0.2161
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No