Information card for entry 1558445

Structure parameters

• Common name: BaH2S3P2O6.C2H5OH
• Formula: C2 H8 Ba O7 P2 S3
• Calculated formula: C2 H3 Ba O7 P2 S3
• Title of publication: The Dihydrogentrisulfanediphosphonate Ion. Preparation and Crystal Structures of BaH2S3P2O6.C2H5OH and [Co(en)2Cl(H2O)]H2S3P2O6.H2O
• Authors of publication: Janickis, Vitalijus; Maroy, Kjartan
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 465 - 470
• a: 5.809 ± 0.001 Å
• b: 9.085 ± 0.001 Å
• c: 12.168 ± 0.001 Å
• α: 97.17 ± 0.01°
• β: 102.42 ± 0.01°
• γ: 104.4 ± 0.01°
• Cell volume: 596.54 ± 0.14 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No