Information card for entry 7214085

Structure parameters

• Common name: NH4[Dy(cdm)4(H2O)4].18c6.3H2O
• Formula: C28 H50 Dy N13 O17
• Calculated formula: C28 H50 Dy N13 O17
• SMILES: [Dy](OC(=C(C#N)C#N)N)(OC(=C(C#N)C#N)N)(OC(=C(C#N)C#N)N)(OC(=C(C#N)C#N)N)([OH2])([OH2])([OH2])[OH2].O.O1CCOCCOCCOCCOCCOCC1.O.O.[NH4+]
• 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: 13.2276 ± 0.0005 Å
• b: 24.22 ± 0.0008 Å
• c: 14.1006 ± 0.0005 Å
• α: 90°
• β: 112.907 ± 0.004°
• γ: 90°
• Cell volume: 4161.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.675
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No