Information card for entry 4074226

Structure parameters

• Chemical name: (K-crypt)3[Si9Zn(C6H5)]*2py
• Formula: C70 H123 K3 N8 O18 Si9 Zn
• Calculated formula: C70 H120.765 K3 N8 O18 Si9 Zn
• Title of publication: Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)
• Authors of publication: Goicoechea, Jose M.; Sevov, Slavi C.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4530
• a: 13.9464 ± 0.0005 Å
• b: 14.8743 ± 0.0006 Å
• c: 25.6457 ± 0.0009 Å
• α: 76.954 ± 0.002°
• β: 84.974 ± 0.002°
• γ: 67.988 ± 0.002°
• Cell volume: 4804.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No