Information card for entry 7022401

Structure parameters

• Formula: C46 H80 N6 Si4 Sm2
• Calculated formula: C46 H80 N6 Si4 Sm2
• SMILES: [CH]12=[CH]3[CH]4=[C]56CN(c7c(cccc7C(C)C)C(C)C)[Sm]789%10%11([N]16[Sm]12345([N]27[CH]8=[CH]9[CH]%10=[C]2%11CN1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.
• Authors of publication: Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2861 - 2869
• a: 26.5814 ± 0.0013 Å
• b: 12.3473 ± 0.0006 Å
• c: 17.355 ± 0.0009 Å
• α: 90°
• β: 103.621 ± 0.001°
• γ: 90°
• Cell volume: 5535.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No