Information card for entry 7052100

Structure parameters

• Formula: C6 H20 Cl La O14 S2
• Calculated formula: C6 H20 Cl La O14 S2
• SMILES: [La]1(OS(=O)(=O)c2ccccc2S(=O)(=O)O1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].O.O
• Title of publication: Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates
• Authors of publication: Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 634
• a: 7.256 ± 0.0005 Å
• b: 12.7526 ± 0.0008 Å
• c: 19.514 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.69 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.024
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections: 1.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No