Information card for entry 4064547

Structure parameters

• Formula: C37 H40 N2
• Calculated formula: C37 H40 N2
• SMILES: N(C(c1nc(ccc1)c1cccc2ccccc12)c1c(cccc1)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions
• Authors of publication: Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3318
• a: 14.618 ± 0.002 Å
• b: 19.485 ± 0.003 Å
• c: 10.6264 ± 0.0014 Å
• α: 90°
• β: 102.434 ± 0.004°
• γ: 90°
• Cell volume: 2955.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No