Information card for entry 4333304

Structure parameters

• Formula: C44 H52 Cu4 I4 O6 S4
• Calculated formula: C44 H52 Cu4 I4 O6 S4
• Title of publication: Calix[4]bis(thiacrown): assembly of an endocyclic disilver(I) complex and exocyclic 3D copper(I) coordination polymers.
• Authors of publication: Lee, Jai Young; Lee, So Young; Seo, Joobeom; Park, Chul Soon; Go, Jung Nam; Sim, Wonbo; Lee, Shim Sung
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6221 - 6223
• a: 20.2463 ± 0.0011 Å
• b: 19.9394 ± 0.0011 Å
• c: 24.988 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10087.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No