Information card for entry 7230395

Structure parameters

• Formula: C27 H39 Mo12 O40 P S3
• Calculated formula: C27 H39 Mo12 O40 P S3
• Title of publication: Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety
• Authors of publication: Kumar, Ashwani; Pradeep, Chullikkattil P.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 20.3393 ± 0.0003 Å
• b: 20.3393 ± 0.0003 Å
• c: 23.9935 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8596 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No