Information card for entry 4324629

Structure parameters

• Chemical name: (K-crypt)6(Ni@Sn9)2(en)3(tol)
• Formula: C121 H249 K6 N18 Ni2 O36 Sn18
• Calculated formula: C121 H249 K6 N18 Ni2 O36 Sn18
• 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: 28.0012 ± 0.0014 Å
• b: 23.3701 ± 0.001 Å
• c: 27.6515 ± 0.0014 Å
• α: 90°
• β: 93.561 ± 0.003°
• γ: 90°
• Cell volume: 18060 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1565
• 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