Information card for entry 4508524

Structure parameters

• Formula: C11 H13 K N2 O6 S
• Calculated formula: C11 H13 K N2 O6 S
• SMILES: c1(ccccc1NN=C(C(=O)C)C(=O)C)S(=O)(=O)[O-].O.[K+]
• 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: 5.4449 ± 0.0002 Å
• b: 7.9375 ± 0.0003 Å
• c: 16.8558 ± 0.0006 Å
• α: 90.626 ± 0.006°
• β: 90.884 ± 0.003°
• γ: 105.495 ± 0.004°
• Cell volume: 701.84 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No