Information card for entry 2018340

Structure parameters

• Chemical name: <i>cyclo</i>-tetrakis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato- κ^2^<i>S</i>:<i>S</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]
• Formula: C100 H76 Ag4 N4 O8 P4 S8
• Calculated formula: C100 H76 Ag4 N4 O8 P4 S8
• SMILES: [P]([Ag]1[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]
• Authors of publication: Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m17 - m20
• a: 15.3566 ± 0.001 Å
• b: 14.1309 ± 0.0007 Å
• c: 14.0768 ± 0.0006 Å
• α: 77.771 ± 0.004°
• β: 123.88 ± 0.003°
• γ: 86.465 ± 0.001°
• Cell volume: 2416.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes