Information card for entry 7250413

Structure parameters

• Formula: C6 H7 K3 O14 S3
• Calculated formula: C6 H3 K3 O14 S3
• Title of publication: Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand
• Authors of publication: Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 4116 - 4124
• a: 8.8233 ± 0.0004 Å
• b: 19.8695 ± 0.0009 Å
• c: 18.6688 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3272.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No