Information card for entry 4505232

Structure parameters

• Formula: C21 H24 Cu N O3 S2
• Calculated formula: C21 H24 Cu N O3 S2
• Title of publication: Two-Dimensional Square-Grid versus One-Dimensional Double-Stranded Networks: Counterion Regulation of the Formation of Macrocycle-Based Copper(I) Coordination Frameworks
• Authors of publication: Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Kim, Jineun; Choi, Kyu Seong; Jung, Ok-Sang; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1707
• a: 12.8498 ± 0.0014 Å
• b: 9.0701 ± 0.001 Å
• c: 19.779 ± 0.002 Å
• α: 90°
• β: 100.132 ± 0.002°
• γ: 90°
• Cell volume: 2269.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1513
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No