Information card for entry 1544050

Structure parameters

• Formula: C8 H10 O7 Sr
• Calculated formula: C8 H10 O7 Sr
• Title of publication: Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer
• Authors of publication: Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 503 - 506
• a: 6.8224 ± 0.0005 Å
• b: 21.8495 ± 0.0015 Å
• c: 7.2677 ± 0.0006 Å
• α: 90°
• β: 92.233 ± 0.002°
• γ: 90°
• Cell volume: 1082.54 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No