Information card for entry 4303778

Structure parameters

• Formula: C54 H60 Ag2 F12 O6 P2 S6
• Calculated formula: C54 H60 Ag2 F12 O6 P2 S6
• SMILES: [Ag]1([S]2Cc3c(OCCOc4c(C[S]1CC2)cccc4)cccc3)[S]1CC[S]([Ag]2[S]3Cc4c(OCCOc5c(C[S]2CC3)cccc5)cccc4)Cc2c(OCCOc3c(C1)cccc3)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle Displaying Unusual Topologies
• Authors of publication: So Young Lee; Sunhong Park; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11335 - 11341
• a: 11.8135 ± 0.001 Å
• b: 23.679 ± 0.002 Å
• c: 12.2325 ± 0.0011 Å
• α: 90°
• β: 106.928 ± 0.002°
• γ: 90°
• Cell volume: 3273.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No