Information card for entry 7250412

Structure parameters

• Formula: C8 H19 N6 Na3 O14 S3
• Calculated formula: C8 H15 N6 Na3 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: 12.8318 ± 0.0009 Å
• b: 12.185 ± 0.0009 Å
• c: 25.4468 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3978.7 ± 0.5 ų
• Cell temperature: 296.15 ± 0.02 K
• Ambient diffraction temperature: 296.15 ± 0.02 K
• Number of distinct elements: 6
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No