Information card for entry 7022400

Structure parameters

• Formula: C46 H80 N6 Nd2 Si4
• Calculated formula: C46 H80 N6 Nd2 Si4
• SMILES: [CH]12=[CH]3[CH]4=[C]56CN(c7c(cccc7C(C)C)C(C)C)[Nd]789%10%11([N]16[Nd]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: 26.619 ± 0.005 Å
• b: 12.344 ± 0.003 Å
• c: 17.358 ± 0.004 Å
• α: 90°
• β: 103.536 ± 0.002°
• γ: 90°
• Cell volume: 5545 ± 2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No