Information card for entry 2242010

Structure parameters

• Chemical name: Tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide
• Formula: C54 H108 N6 O18 Rb4 Sn9
• Calculated formula: C54 H108 N6 O18 Rb4 Sn9
• SMILES: [Sn]1234[Sn]567[Sn]891[Sn]126[Sn]268[Sn]859[Sn]537[Sn]412[Sn]568.[Rb+].[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• Title of publication: Crystal structure of tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium] rubidium nonastannide
• Authors of publication: Klein, Wilhelm; He, Haiyan; Fässler, Thomas F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 147 - 151
• a: 15.7287 ± 0.0008 Å
• b: 16.153 ± 0.001 Å
• c: 20.2896 ± 0.0008 Å
• α: 98.782 ± 0.004°
• β: 104.35 ± 0.004°
• γ: 118.407 ± 0.006°
• Cell volume: 4165.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.183
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes