Information card for entry 8105247

Structure parameters

• Formula: C12 H26 Br Na O7
• Calculated formula: C12 H26 Br Na O7
• Title of publication: Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O 6) sodium bromide hydrate, [Na(18-crown-6)]Br ⋅ H2O, C12H26BrNaO7
• Authors of publication: Klein, Wilhelm
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 651 - 653
• a: 7.9362 ± 0.0006 Å
• b: 14.1331 ± 0.0007 Å
• c: 7.7734 ± 0.0006 Å
• α: 90°
• β: 96.701 ± 0.006°
• γ: 90°
• Cell volume: 865.93 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No