Information card for entry 7208700

Structure parameters

• Formula: C14 H10 Na2 O6
• Calculated formula: C14 H10 Na2 O6
• SMILES: [Na+].[Na+].[O-]C(=O)c1ccc(Oc2ccc(cc2)C(=O)[O-])cc1.O
• Title of publication: Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand
• Authors of publication: Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6812
• a: 29.1055 ± 0.0012 Å
• b: 5.7959 ± 0.0002 Å
• c: 7.697 ± 0.0003 Å
• α: 90°
• β: 92.448 ± 0.002°
• γ: 90°
• Cell volume: 1297.24 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No