Information card for entry 7052101

Structure parameters

• Formula: C18 H48.5 O36.25 S6 Sm2
• Calculated formula: C18 H38 O36.25 S6 Sm2
• 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: 8.6666 ± 0.0005 Å
• b: 14.2258 ± 0.0006 Å
• c: 19.4202 ± 0.0007 Å
• α: 103.476 ± 0.001°
• β: 98.679 ± 0.001°
• γ: 100.967 ± 0.001°
• Cell volume: 2237.55 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.037
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 1.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No