Information card for entry 4325444

Structure parameters

• Formula: C20 H27 Cu O7 S4 n3
• Calculated formula: C20 H27 Cu N3 O7 S4
• Title of publication: Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle
• Authors of publication: Eunji Lee; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5803 - 5807
• a: 8.5234 ± 0.0004 Å
• b: 10.5146 ± 0.0006 Å
• c: 15.8863 ± 0.0012 Å
• α: 96.754 ± 0.004°
• β: 102.105 ± 0.004°
• γ: 113.81 ± 0.002°
• Cell volume: 1240.61 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No