Information card for entry 4349412

Structure parameters

• Formula: C53 H52 Ag F3 N4 O3 P8 S5
• Calculated formula: C53 H52 Ag F3 N4 O3 P8 S5
• SMILES: [Ag]12([P@]3(SP(N(P(S[P@@]1(N3C)c1ccccc1)c1ccccc1)C)c1ccccc1)c1ccccc1)[P@]1(S[P@@]2(N(P(SP(N1C)c1ccccc1)c1ccccc1)C)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 26.0999 ± 0.0003 Å
• b: 25.8868 ± 0.0003 Å
• c: 10.92456 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7381.1 ± 0.13 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No