Information card for entry 2229832

Structure parameters

• Common name: Strontium ranelate nonahydrate
• Chemical name: Poly[[μ-aqua-tetraaqua{μ-5-[bis(carboxylatomethyl)amino]-3- carboxylatomethyl-4-cyanothiophene-2-carboxylato}distrontium(II)] tetrahydrate]
• Formula: C12 H23.58 N2 O16.79 S Sr2
• Calculated formula: C12 H23.18 N2 O16.79 S Sr2
• Title of publication: Polymeric strontium ranelate nonahydrate
• Authors of publication: Stahl, Kenny; Frankaer, Christian G.; Raffalt, Anders C.; Sørensen, Søren R.; Andersen, Jens E. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m471 - m472
• a: 8.3585 ± 0.0003 Å
• b: 12.3865 ± 0.0005 Å
• c: 12.6474 ± 0.0005 Å
• α: 109.88 ± 0.001°
• β: 97.148 ± 0.001°
• γ: 105.321 ± 0.001°
• Cell volume: 1154 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes