Information card for entry 4068673

Structure parameters

• Formula: C42 H36 Cl2 Hf N2
• Calculated formula: C42 H36 Cl2 Hf N2
• SMILES: [Hf]12345678([cH]9[c]1([cH]3[c]17cccc[c]591)n1c3ccccc3c3CCCCc13)([cH]1[c]2([cH]4[c]28[c]61cccc2)n1c2ccccc2c2CCCCc12)(Cl)Cl
• Title of publication: Group 4 Metallocenes Bearing η5-2-(N-Azolyl)indenyl Ligands: Synthesis, Structure Characterization, and Olefin Polymerization Catalysis
• Authors of publication: Lebedev, Artem Y.; Izmer, Vyatcheslav V.; Asachenko, Andrey F.; Tzarev, Alexey A.; Uborsky, Dmitry V.; Homutova, Yuliya A.; Shperber, Elizar R.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1800
• a: 21.057 ± 0.004 Å
• b: 11.702 ± 0.002 Å
• c: 16.591 ± 0.003 Å
• α: 90°
• β: 128.819 ± 0.004°
• γ: 90°
• Cell volume: 3185.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No