Information card for entry 6000412

Structure parameters

• Formula: C14 H16 Ca O15 S2
• Calculated formula: C14 H16 Ca O15 S2
• Title of publication: The crystal structure and the second harmonic generation efficiency of the sulfosalicylate
• Authors of publication: Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.
• Journal of publication: Acta Physico-chimica Sinica
• Year of publication: 1998
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 778 - 783
• a: 5.604 ± 0.001 Å
• b: 18.56 ± 0.004 Å
• c: 10.006 ± 0.002 Å
• α: 90°
• β: 102.19 ± 0.03°
• γ: 90°
• Cell volume: 1017.26 ų
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0244
• Weighted residual factors for all reflections: 0.032
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No