Information card for entry 4348858

Structure parameters

• Formula: C106 H152 K2 N6 O8
• Calculated formula: C106 H146 K2 N6 O8
• SMILES: [K]12([O](C)CC[O]1C)([O](CC[O]2C)C)N(c1c(Nc2c(cccc2C(C)C)C(C)C)cc2c(c1)c1cc([N-]c3c(cccc3C(C)C)C(C)C)c(Nc3c(cccc3C(C)C)C(C)C)cc1c1cc(Nc3c(cccc3C(C)C)C(C)C)c(Nc3c(cccc3C(C)C)C(C)C)cc21)c1c(cccc1C(C)C)C(C)C.[K]12([O](CC[O]1C)C)[O](C)CC[O]2C
• 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: 31.969 ± 0.008 Å
• b: 10.512 ± 0.003 Å
• c: 29.754 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9999 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No