Information card for entry 2017730

Structure parameters

• Chemical name: Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]
• Formula: C8 H10 O4 Sr
• Calculated formula: C8 H10 O4 Sr
• SMILES: [Sr+2].[O-]C([C@@H]2[C@@H](CCCC2)C(=O)[O-])=O
• Title of publication: Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]
• Authors of publication: Robertson, Karen A.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m194 - m196
• a: 13.3937 ± 0.0004 Å
• b: 7.0389 ± 0.0002 Å
• c: 9.971 ± 0.0002 Å
• α: 90°
• β: 107.555 ± 0.002°
• γ: 90°
• Cell volume: 896.26 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes