Information card for entry 4081960

Structure parameters

• Formula: C38 H60 Hf N2 O
• Calculated formula: C38 H60 Hf N2 O
• SMILES: [Hf]1(Oc2c(cccc2C(C)(C)C)C(C)(C)C)([N](=C2C(N1c1c(cccc1C(C)C)C(C)C)=CCCC2)CCCC)(C)C
• Title of publication: Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes
• Authors of publication: Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6488
• a: 24.9168 ± 0.0016 Å
• b: 17.3867 ± 0.0011 Å
• c: 16.9033 ± 0.0011 Å
• α: 90°
• β: 97.633 ± 0.001°
• γ: 90°
• Cell volume: 7258 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No