Information card for entry 7051837

Structure parameters

• Common name: [K(18c6)(cdm)(H2O)]
• Chemical name: [(aqua)(carbamoyldicyanomethanido)(18-crown-6)potassium]
• Formula: C16 H28 K N3 O8
• Calculated formula: C16 H28 K N3 O8
• Title of publication: Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−
• Authors of publication: Turner, David R.; Pek, Sze Nee; Batten, Stuart R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 719
• a: 13.4619 ± 0.0002 Å
• b: 17.6252 ± 0.0003 Å
• c: 18.4777 ± 0.0003 Å
• α: 90.386 ± 0.001°
• β: 90.441 ± 0.001°
• γ: 103.642 ± 0.001°
• Cell volume: 4260.2 ± 0.12 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No