Information card for entry 4305395

Structure parameters

• Chemical name: (K-crypt)3[Sn9-CH=CH2].2py
• Formula: C66 H121 K3 N8 O18 Sn9
• Calculated formula: C66 H121 K3 N8 O18 Sn9
• SMILES: [Sn]123([Sn]456[Sn]781[Sn]19%10[Sn]%11([Sn]41([Sn]35%11)[Sn]68%10)[Sn]279)C=C.[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.n1ccccc1.n1ccccc1
• Title of publication: Tin-Based Organo-Zintl Ions: Alkylation and Alkenylation of Sn94-
• Authors of publication: Donald J. Chapman; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6009 - 6013
• a: 15.6988 ± 0.0003 Å
• b: 17.4195 ± 0.0004 Å
• c: 17.4432 ± 0.0004 Å
• α: 86.299 ± 0.001°
• β: 81.566 ± 0.001°
• γ: 85.349 ± 0.001°
• Cell volume: 4696.27 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No