Information card for entry 4348862

Structure parameters

• Formula: C97 H116 Ge3 N6
• Calculated formula: C97 H116 Ge3 N6
• SMILES: [Ge]1N(c2c(cc3c4c(c5c(cc6c(c5)N([Ge]N6c5c(cccc5C(C)C)C(C)C)c5c(C(C)C)cccc5C(C)C)c3c2)cc2N([Ge]N(c3c(cccc3C(C)C)C(C)C)c2c4)c2c(cccc2C(C)C)C(C)C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• 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: 16.813 ± 0.006 Å
• b: 26.712 ± 0.009 Å
• c: 21.678 ± 0.007 Å
• α: 90°
• β: 106.172 ± 0.005°
• γ: 90°
• Cell volume: 9351 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No