Information card for entry 4303211

Structure parameters

• Formula: C94 H104 Cu11 I15 K4 N3 O18 S2
• Calculated formula: C94 H104 Cu11 I15 K4 N3 O18 S2
• Title of publication: Unsymmetrical Calixcrowns Incorporating Hard and Soft Loops as a New Scaffold for Multinuclear Endo/Exocyclic Complexation and Networking
• Authors of publication: Jai Young Lee; So Young Lee; Sunhong Park; Jongchul Kwon; Wonbo Sim; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8934 - 8939
• a: 22.6363 ± 0.0013 Å
• b: 19.3555 ± 0.0012 Å
• c: 29.7445 ± 0.0018 Å
• α: 90°
• β: 97.805 ± 0.001°
• γ: 90°
• Cell volume: 12911.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1316
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No