Information card for entry 4508525

Structure parameters

• Formula: C14 H17 K N2 O6 S
• Calculated formula: C14 H17 K N2 O6 S
• 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: 5.9999 ± 0.0002 Å
• b: 17.7433 ± 0.0009 Å
• c: 15.7824 ± 0.0007 Å
• α: 90°
• β: 91.833 ± 0.005°
• γ: 90°
• Cell volume: 1679.3 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No