Information card for entry 8105204

Structure parameters

• Formula: C10 H14 N3 Na O5 S
• Calculated formula: C10 H14 N3 Na O5 S
• Title of publication: The crystal structure of poly[μ2-aqua- aqua-(μ3-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ3 O:S:S)sodium(I)], C10H14N3O5SNa
• Authors of publication: Tai, Xi-Shi; Wang, Li-Hua; Xia, Yu-Pei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 277 - 279
• a: 6.7015 ± 0.0005 Å
• b: 7.5656 ± 0.0005 Å
• c: 14.1332 ± 0.0008 Å
• α: 97.08 ± 0.005°
• β: 93.159 ± 0.005°
• γ: 112.125 ± 0.007°
• Cell volume: 654.71 ± 0.08 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0433
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No