Information card for entry 4323073

Structure parameters

• Formula: C12 H24 Ag I5 S6
• Calculated formula: C12 H24 Ag I5 S6
• SMILES: [Ag]1234([S]5CC[S]1CC[S]2CC5)[S]1CC[S]3CC[S]4CC1.[I-]([I]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: 17.1117 ± 0.0012 Å
• b: 12.612 ± 0.002 Å
• c: 14.016 ± 0.002 Å
• α: 90°
• β: 118.65 ± 0.04°
• γ: 90°
• Cell volume: 2654.5 ± 1.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.0861
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No