Information card for entry 4335908

Structure parameters

• Formula: C46 H62 Ag2 Cl2 O19 S2
• Calculated formula: C46 H62 Ag2 Cl2 O19 S2
• SMILES: [Ag]12[S]3CC[O]1CCOc1c4c[cH]5[Ag][S]6CCOCCOc7c(C4)cccc7Cc4c([O]2CCOCC3)c(ccc4)Cc2c(OCCOCC6)c(ccc2)Cc1c5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC.O
• Title of publication: Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network
• Authors of publication: Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10176 - 10182
• a: 11.0637 ± 0.0006 Å
• b: 20.628 ± 0.001 Å
• c: 22.5805 ± 0.0011 Å
• α: 90°
• β: 101.761 ± 0.003°
• γ: 90°
• Cell volume: 5045.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No