Information card for entry 4325950

Structure parameters

• Formula: C78 H106 Al N4 O3 Si Sm
• Calculated formula: C78 H106 Al N4 O3 Si Sm
• SMILES: [Sm]1(O[Si](C)(C)C)([O]2CCCC2)(O[Al]2(N(c3c(cccc3C(C)C)C(C)C)C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)/C(=C/c2ccccc2)c2ccccc2)[N](c2c(cccc2C(C)C)C(C)C)=Cc2n1c(cc2)C(C)(C)C.c1ccccc1C
• 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: 40.13 ± 0.008 Å
• b: 18.8 ± 0.004 Å
• c: 19.107 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14415 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No