Information card for entry 4074228

Structure parameters

• Chemical name: (K-crypt)3[Sn9Zn(C6H5)]*tol
• Formula: C67 H121 K3 N6 O18 Sn9 Zn
• Calculated formula: C67 H121 K3 N6 O18 Sn9 Zn
• SMILES: [Zn]123([Sn]456[Sn]789[Sn]%10%11[Sn]%1247[Sn]47%10[Sn]%108%11[Sn]27([Sn]15%124)[Sn]369%10)c1ccccc1.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.Cc1ccccc1
• 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: 13.6322 ± 0.0004 Å
• b: 24.4665 ± 0.0008 Å
• c: 28.037 ± 0.0009 Å
• α: 90°
• β: 94.295 ± 0.002°
• γ: 90°
• Cell volume: 9325 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No