Information card for entry 2015437

Structure parameters

• Chemical name: (borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium
• Formula: C12 H28 B K O6
• Calculated formula: C12 H28 B K O6
• SMILES: [BH4-].[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: (Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m275 - m277
• a: 8.2049 ± 0.0005 Å
• b: 11.9741 ± 0.0008 Å
• c: 17.9611 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes