Information card for entry 1556895

Structure parameters

• Chemical name: Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)
• Formula: C42 H19 F16 Os P S4
• Calculated formula: C42 H19 F16 Os P S4
• SMILES: [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1c(c(cc(c1F)F)F)F)(Sc1c(c(cc(c1F)F)F)F)(Sc1c(c(cc(c1F)F)F)F)Sc1c(c(cc(c1F)F)F)F
• Title of publication: Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph
• Authors of publication: Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191622
• a: 12.4008 ± 0.0005 Å
• b: 13.8892 ± 0.0007 Å
• c: 25.2321 ± 0.0011 Å
• α: 90°
• β: 100.991 ± 0.003°
• γ: 90°
• Cell volume: 4266.2 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes