Information card for entry 4088339

Structure parameters

• Formula: C60.5 H79 Al Cl N O4 Zr
• Calculated formula: C60.5 H79 Al Cl N O4 Zr
• SMILES: [Zr]1234(Cl)[O](C(C)C)[Al]([O]2c2c(C[N]1(Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1O4)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C)(C)C.c1ccccc1C.c1ccccc1C
• Title of publication: Synthesis and Structural Analysis of Zr‒Al Heterobimetallic Complexes, [ZrX{(O-2,4-tBu2C6H2-6-CH2)3(μ2-O-2,4-tBu2-C6H2-6-CH2)}N][R2Al(μ2-OiPr)] [X = Cl, Et, iBu; R = Me, Et, iBu]. Unique Reactivity of the iBu Complex
• Authors of publication: Tewasekson, Udomchai; Tsutsumi, Ken; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 866
• a: 14.953 ± 0.007 Å
• b: 19.122 ± 0.009 Å
• c: 21.4475 ± 0.001 Å
• α: 79.2889 ± 0.001°
• β: 81.976 ± 0.009°
• γ: 89.115 ± 0.012°
• Cell volume: 5966 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No