Information card for entry 4335031

Structure parameters

• Formula: C56 H72 Cl3 Li N4 Si2 Sm2
• Calculated formula: C56 H72 Cl3 Li N4 Si2 Sm2
• SMILES: [Sm]123456789%10%11[Cl][Li]([Cl]1)([N](CC[c]1%10[cH]%11[c]8([Si]([c]83[c]34cccc[c]53[c]6([cH]78)CC[N]2(C)C)(C)C)[c]29[c]1cccc2)(C)C)[N](CC[c]12[cH]3[Sm]456789%10%111(Cl)[N](CC[c]1%10[cH]%11[c]7([Si]([c]34[c]35[c]26cccc3)(C)C)[c]28cccc[c]912)(C)C)(C)C
• Title of publication: Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge
• Authors of publication: Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6417 - 6426
• a: 9.0522 ± 0.0007 Å
• b: 18.1657 ± 0.0013 Å
• c: 18.2189 ± 0.0013 Å
• α: 106.423 ± 0.001°
• β: 90.304 ± 0.001°
• γ: 100.4 ± 0.001°
• Cell volume: 2821.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No