Information card for entry 4325949

Structure parameters

• Formula: C37 H64 N2 O2 Si2 Y
• Calculated formula: C37 H64 N2 O2 Si2 Y
• SMILES: [Y]1([N](c2c(cccc2C(C)C)C(C)C)=Cc2n1c(cc2)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum-Rare Earth Metal Complexes
• Authors of publication: Jingjun Hao; Jianfeng Li; Chunming Cui; Herbert W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7453 - 7459
• a: 10.4948 ± 0.0004 Å
• b: 18.2644 ± 0.0008 Å
• c: 21.1763 ± 0.0008 Å
• α: 90°
• β: 94.849 ± 0.003°
• γ: 90°
• Cell volume: 4044.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No