Information card for entry 4508523

Structure parameters

• Formula: C14 H24 N2 Na O9 S
• Calculated formula: C14 H24 N2 Na O9 S
• SMILES: c1(c(cccc1)S(=O)(=O)[O-])NNC1=C([O-])CC(CC1=O)(C)C.O.O.O.[Na+].O
• 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: 6.4504 ± 0.0002 Å
• b: 14.9484 ± 0.0004 Å
• c: 19.9662 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1925.2 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No