Information card for entry 1542980

Structure parameters

• Chemical name: (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 4,4'-bipyridinidyl
• Formula: C28 H44 N4 O6 Rb
• Calculated formula: C28 H44 N4 O6 Rb
• SMILES: [Rb]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.n1ccc(c2ccncc2)cc1
• Title of publication: (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 4,4'-bipyridinidyl
• Authors of publication: Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160505
• a: 11.2326 ± 0.0004 Å
• b: 8.025 ± 0.0003 Å
• c: 16.3653 ± 0.0007 Å
• α: 90°
• β: 91.95 ± 0.003°
• γ: 90°
• Cell volume: 1474.34 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes