Information card for entry 4330971

Structure parameters

• Formula: C86 H144 N2 O10 Ti2
• Calculated formula: C86 H144 N2 O10 Ti2
• SMILES: [Ti]123([N](Cc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)CC[O]3CC[O]1[Ti]23([N](CC1)(Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C
• Title of publication: Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides
• Authors of publication: Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12023 - 12031
• a: 14.628 ± 0.0007 Å
• b: 18.2723 ± 0.0009 Å
• c: 19.0406 ± 0.001 Å
• α: 85.188 ± 0.003°
• β: 75.049 ± 0.003°
• γ: 79.783 ± 0.003°
• Cell volume: 4835.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No