Information card for entry 4324628

Structure parameters

• Common name: [K-crypt]3[Ge9Tl].2py
• Formula: C64 H118 Ge9 K3 N8 O18 Tl
• Calculated formula: C64 H118 Ge9 K3 N8 O18 Tl
• SMILES: [Tl]123[Ge]456[Ge]781[Ge]192[Ge]234[Ge]345[Ge]567[Ge]681[Ge]923[Ge]456.[K]1234567[O]8CC[O]4CC[N]46CC[O]1CC[O]3CC[N]7(CC8)CC[O]2CC[O]5CC4.[K]1234567[O]8CC[O]2CC[N]26CC[O]3CC[O]1CC[N]7(CC8)CC[O]5CC[O]4CC2.[K]1234567[O]8CC[O]2CC[N]26CC[O]3CC[O]1CC[N]7(CC8)CC[O]5CC[O]4CC2.n1ccccc1.n1ccccc1
• Title of publication: Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin
• Authors of publication: Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2373 - 2377
• a: 21.9176 ± 0.0004 Å
• b: 21.9176 ± 0.0004 Å
• c: 36.9948 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17771.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No