Information card for entry 4330974

Structure parameters

• Formula: C96 H152 Hf2 N2 O10
• Calculated formula: C96 H152 Hf2 N2 O10
• SMILES: C1c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O[Hf]23([N]1(CC[O]2CC[O]1CC[N]24Cc5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O[Hf]14(Oc1c(C2)cc(cc1C(C)(C)C)C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)(OC(C)(C)C)OC(C)(C)C.c1ccc(cc1)C.c1ccc(cc1)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: 16.0892 ± 0.0014 Å
• b: 23.729 ± 0.002 Å
• c: 26.233 ± 0.003 Å
• α: 90°
• β: 101.363 ± 0.001°
• γ: 90°
• Cell volume: 9818.9 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No