Information card for entry 8101694

Structure parameters

• Chemical name: tri[potassium([2.2.2]crypt)]nonastannide ethylenediamine hemisolvate
• Formula: C55 H112 K3 N7 O18 Sn9
• Calculated formula: C55 H112 K3 N7 O18 Sn9
• SMILES: C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.NCCN.[Sn]123[Sn]45[Sn]671[Sn]182[Sn]23[Sn]34[Sn]456[Sn]71[Sn]8234
• Title of publication: Crystal structure of tris[([2.2.2]crypt)potassium] nonastannide ethylenediamine hemisolvate, [K(C~18~H~36~N~2~O~6~)]~3~Sn~9~ · ½C~2~H~8~N~2~
• Authors of publication: L. Yong; S. D. Hoffmann; T. F. Fässler
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 14.8163 ± 0.0001 Å
• b: 16.1125 ± 0.0001 Å
• c: 20.1823 ± 0.0001 Å
• α: 92.7499 ± 0.0003°
• β: 96.5942 ± 0.0003°
• γ: 111.648 ± 0.0002°
• Cell volume: 4427.28 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No