Information card for entry 2015290

Structure parameters

• Chemical name: Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)
• Formula: C42 H15 F20 Os P S4
• Calculated formula: C42 H15 F20 Os P S4
• SMILES: [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)Sc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone
• Authors of publication: Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m201 - m204
• a: 13.0394 ± 0.0013 Å
• b: 44.781 ± 0.003 Å
• c: 22.8023 ± 0.0017 Å
• α: 90°
• β: 100.051 ± 0.008°
• γ: 90°
• Cell volume: 13110.3 ± 1.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes