Information card for entry 7214084

Structure parameters

• Common name: [Er(cdm)4(H2O)4][K(18c6)(H2O)2].H2O
• Formula: C28 H46 Er K N12 O17
• Calculated formula: C28 H46 Er K N12 O17
• Title of publication: A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates
• Authors of publication: Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1625
• a: 13.2705 ± 0.0008 Å
• b: 24.0464 ± 0.0014 Å
• c: 13.9735 ± 0.0008 Å
• α: 90°
• β: 112.89 ± 0.002°
• γ: 90°
• Cell volume: 4107.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No