Information card for entry 4348859

Structure parameters

• Formula: C132 H156 N6 Pb3
• Calculated formula: C132 H156 N6 Pb3
• SMILES: c1(ccccc1)C.c1(ccccc1)C.[Pb]1N(c2c(N1c1c(cccc1C(C)C)C(C)C)cc1c(c2)c2cc3N([Pb]N(c3cc2c2cc3N([Pb]N(c3cc12)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1.c1(ccccc1)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).
• Authors of publication: Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9112 - 9120
• a: 13.679 ± 0.002 Å
• b: 37.518 ± 0.007 Å
• c: 23.728 ± 0.004 Å
• α: 90°
• β: 104.405 ± 0.002°
• γ: 90°
• Cell volume: 11795 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.1269
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No