Information card for entry 4323072

Structure parameters

• Formula: C12 H24 Ag I3 S6
• Calculated formula: C12 H24 Ag I3 S6
• SMILES: [Ag]12345[S]6CC[S]2CC[S]3CC[S]1CC[S]4CC[S]5CC6.[I-](I)I
• Title of publication: Silver-Thioether Crown Complexes as Templates for the Synthesis of Extended Polyiodide Networks: Synthesis and X-ray Crystal Structures of [Ag2([15]aneS5)2]I12, [Ag([18]aneS6)]I7, [Ag([18]aneS6)]I3, and [Ag([9]aneS3)2]I5
• Authors of publication: Alexander J. Blake; Robert O. Gould; Wan-Sheung Li; Vito Lippolis; Simon Parsons; Christian Radek; Martin Schröder
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5070 - 5077
• a: 18.5767 ± 0.0011 Å
• b: 11.9188 ± 0.0007 Å
• c: 5.2714 ± 0.0005 Å
• α: 90°
• β: 95.634 ± 0.009°
• γ: 90°
• Cell volume: 1161.51 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for all reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0403
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No