Information card for entry 4337457

Structure parameters

• Formula: C50 H77 Ag3 F18 N3 O8 P3 S8
• Calculated formula: C46 H71 Ag3 F18 N O8 P3 S8
• Title of publication: Regioisomer-dependent endo- and exocyclic coordination of bis-dithiamacrocycles.
• Authors of publication: Siewe, Arlette Deukam; Kim, Ja-Yeon; Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 393 - 398
• a: 19.9611 ± 0.0009 Å
• b: 17.2003 ± 0.0009 Å
• c: 21.6034 ± 0.0012 Å
• α: 90°
• β: 102.324 ± 0.003°
• γ: 90°
• Cell volume: 7246.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No