Information card for entry 2007819

Structure parameters

• Common name: cis-syn-cis-dicyclohexano-18-crown-6 sodium perrhenate
• Chemical name: cis-syn-cis-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane sodium perrhenate
• Formula: C20 H36 Na O10 Re
• Calculated formula: C20 H36 Na O10 Re
• SMILES: [C@@H]12[C@@H](CCCC1)[O]1CC[O]3CC[O]4[Na]5613(O[Re](=O)(=O)=O)[O](CC[O]5[C@@H]1CCCC[C@H]41)CC[O]26
• Title of publication: <i>cis</i>‒<i>syn</i>‒<i>cis</i>-Dicyclohexano-18-crown-6 Sodium Perrhenate
• Authors of publication: Bryan, Jeffrey C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1569 - 1571
• a: 9.224 ± 0.002 Å
• b: 27.735 ± 0.006 Å
• c: 10.497 ± 0.003 Å
• α: 90°
• β: 112.42 ± 0.01°
• γ: 90°
• Cell volume: 2482.4 ± 1.1 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No