Information card for entry 4508521

Structure parameters

• Formula: C11 H13 N2 Na O6 S
• Calculated formula: C11 H13 N2 Na O6 S
• SMILES: c1(ccccc1N/N=C(C(=O)C)\C(=O)C)S(=O)(=O)[O-].O.[Na+]
• Title of publication: Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones
• Authors of publication: Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5076
• a: 10.8622 ± 0.0005 Å
• b: 11.5477 ± 0.0006 Å
• c: 18.5728 ± 0.0009 Å
• α: 77.413 ± 0.002°
• β: 73.814 ± 0.001°
• γ: 67.829 ± 0.002°
• Cell volume: 2055.17 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No