Information card for entry 4512392

Structure parameters

• Formula: C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4
• Calculated formula: C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4
• Title of publication: Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers
• Authors of publication: Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6269
• a: 11.9075 ± 0.0005 Å
• b: 12.0382 ± 0.0005 Å
• c: 19.6302 ± 0.0007 Å
• α: 94.01 ± 0.001°
• β: 94.081 ± 0.001°
• γ: 113.269 ± 0.001°
• Cell volume: 2563.65 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1278
• 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: Yes
• Has Fobs: No