Information card for entry 7004060

Structure parameters

• Formula: C76 H130 N4 O6 Si2 Y2
• Calculated formula: C76 H130 N4 O6 Si2 Y2
• SMILES: C1c2c(O[Y]345([N]1(CC[N]3(Cc1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)C)C)[O](C[Si](C)(C)C)[Y]134([N](Cc6c(O4)c(cc(c6)C(C)(C)C)C(C)(C)C)(CC[N]1(Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)C)C)[O]5C[Si](C)(C)C)c(cc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: O2 activation and hydrolysis of Salan rare-earth metal alkyl complexes
• Authors of publication: Liu, Xinli; Cui, Dongmei
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3747 - 3752
• a: 29.17 ± 0.002 Å
• b: 15.4503 ± 0.0012 Å
• c: 22.231 ± 0.0017 Å
• α: 90°
• β: 111.147 ± 0.001°
• γ: 90°
• Cell volume: 9344.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1586
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No