Information card for entry 4349407

Structure parameters

• Formula: C66 H72 Ag4 Cl10 F12 N4 O12 P8 S8
• Calculated formula: C66 H72 Ag4 Cl10 F12 N4 O12 P8 S8
• SMILES: c1(ccccc1)[P@]12N(C)[P@@]3(c4ccccc4)[Ag][P@@]4(N([P@]5(S[P@@](N([P@]([Ag]2(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(S4)c2ccccc2)C)([Ag][P@](S1)(c1ccccc1)N(C)[P@@](c1ccccc1)(S3)[Ag]5(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C)c1ccccc1.C(CCl)Cl.C(Cl)CCl.ClCCCl.C(CCl)Cl.C(CCl)Cl
• Title of publication: Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.
• Authors of publication: Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 8698 - 8704
• a: 18.9653 ± 0.0004 Å
• b: 28.0732 ± 0.0004 Å
• c: 17.7396 ± 0.0003 Å
• α: 90°
• β: 91.735 ± 0.002°
• γ: 90°
• Cell volume: 9440.5 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No