Information card for entry 2312699

Structure parameters

• Formula: C10 H32 N4 O6 S2
• Calculated formula: C10 H32 N4 O6 S2
• Title of publication: A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S₂O₃·H₂O versus 1-methylpiperazinediium·S₂O₃·3H₂O.
• Authors of publication: Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 706 - 714
• a: 15.3506 ± 0.0003 Å
• b: 7.363 ± 0.0002 Å
• c: 16.3573 ± 0.0003 Å
• α: 90°
• β: 90.237 ± 0.0017°
• γ: 90°
• Cell volume: 1848.79 ± 0.07 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections included in the refinement: 0.0247
• Goodness-of-fit parameter for significantly intense reflections: 1.36
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes