Information card for entry 7107513

Structure parameters

• Chemical name: (K-crypt)4 [BiSn6Ge28-Ge2Sn6Bi] 2en
• Formula: C75 H156 Bi2 Ge4 K4 N11 O24 Sn12
• Calculated formula: C75 H156 Bi2 Ge4 K4 N11 O24 Sn12
• Title of publication: Tri-metallic deltahedral Zintl ions: experimental and theoretical studies of the novel dimer [(Sn6Ge2Bi)2]\4-
• Authors of publication: Miriam M. Gillett-Kunnath; Alvaro Munoz-Castro; Slavi C. Sevov
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3524
• a: 15.8044 ± 0.0007 Å
• b: 27.0221 ± 0.0011 Å
• c: 28.4067 ± 0.0012 Å
• α: 90°
• β: 94.993 ± 0.001°
• γ: 90°
• Cell volume: 12085.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No