Information card for entry 4322995

Structure parameters

• Common name: compound 1
• Formula: C12 H35 Cl4 La O11
• Calculated formula: C12 H24 Cl4 La O11
• SMILES: [La]12345(Cl)(Cl)([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[OH2].[Cl-].[Cl-].[OH3+].O.O.O
• Title of publication: Formation of Lanthanide and Actinide Oxonium Ion Complexes with Crown Ethers from a Liquid Clathrate Medium
• Authors of publication: Hany Hassaballa; Jonathan W. Steed; Peter C. Junk; Mark R. J. Elsegood
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4666 - 4671
• a: 7.695 ± 0.0002 Å
• b: 21.216 ± 0.0016 Å
• c: 15.865 ± 0.001 Å
• α: 90 ± 0.001°
• β: 92.866 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2586.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No